data_2yqd_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 2yqd _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.815 0.256 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 113' ' ' VAL . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CZ ' ' CD1' ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.456 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.456 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.444 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.534 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 30' ' ' TYR . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.737 0.224 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 54' ' ' TYR . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.814 0.256 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE1' HG23 ' A' ' 113' ' ' VAL . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 61' ' ' PRO . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.406 ' N ' HG21 ' A' ' 58' ' ' ILE . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' ALA . 31.4 m170 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 80' ' ' ASP . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' ND2' HG22 ' A' ' 103' ' ' ILE . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.496 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.417 ' CG ' HD22 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 30' ' ' TYR . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.752 0.23 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' CG ' HD11 ' A' ' 79' ' ' ILE . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CE1' ' CG2' ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.457 ' CE1' HD12 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 54' ' ' TYR . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD11 ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HD3' ' CE ' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG12 ' CG ' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.457 HD11 ' CG ' ' A' ' 19' ' ' LYS . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' ASP . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' CG ' HG12 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 104' ' ' TYR . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 111' ' ' HIS . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.597 ' CG2' ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.767 0.236 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' CD2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.458 ' CB ' ' HE1' ' A' ' 71' ' ' MET . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' HG22 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.526 HG13 ' CE1' ' A' ' 54' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.452 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.422 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CB ' HD21 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.452 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.504 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 111' ' ' HIS . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 110' ' ' LEU . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' GLU . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 114' ' ' LEU . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 30' ' ' TYR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CE2' ' SD ' ' A' ' 64' ' ' MET . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' LEU . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.448 HD12 ' CG1' ' A' ' 23' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.775 0.24 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 76' ' ' TYR . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 1.4 p30 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.523 ' CE2' HG23 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.514 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' THR . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' HIS . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.783 0.243 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.584 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' TYR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.54 ' CE1' HG22 ' A' ' 113' ' ' VAL . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 54' ' ' TYR . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.457 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 30' ' ' TYR . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' LYS . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.505 ' CD2' HG13 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 ' CG1' ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 54' ' ' TYR . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE1' HD22 ' A' ' 45' ' ' LEU . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.419 HG21 ' ND2' ' A' ' 92' ' ' ASN . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' LYS . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 16.8 m120 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' MET . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 58' ' ' ILE . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' N ' HG23 ' A' ' 103' ' ' ILE . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' HIS . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.505 HG13 ' CD2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' CG1' ' HE1' ' A' ' 82' ' ' MET . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.411 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.443 ' HE1' ' CG1' ' A' ' 23' ' ' VAL . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CG ' HD23 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' PHE . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' HIS . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.447 ' HA ' ' CG ' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.804 0.252 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 ' CG1' ' HE3' ' A' ' 82' ' ' MET . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' CE1' HG22 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' CE ' ' A' ' 64' ' ' MET . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.409 ' CE ' HD23 ' A' ' 43' ' ' LEU . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.491 ' HE2' ' CD2' ' A' ' 24' ' ' TYR . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' MET . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 108' ' ' LEU . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.761 0.234 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.6 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.421 ' CG2' ' CD ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' CD ' ' CG2' ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 39' ' ' SER . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' HD2' ' A' ' 46' ' ' PRO . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG23 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.44 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.454 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 102' ' ' LEU . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 104' ' ' TYR . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD2' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.49 ' CG2' ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.439 ' NE ' HG23 ' A' ' 79' ' ' ILE . 4.6 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.756 0.232 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 106' ' ' ASP . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.414 ' CG ' HD23 ' A' ' 102' ' ' LEU . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.766 0.236 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' HE3' ' A' ' 82' ' ' MET . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' HG21 ' A' ' 113' ' ' VAL . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' CD1' HD23 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 103' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' TYR . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' MET . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.524 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 30' ' ' TYR . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.796 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' A' ' 113' ' ' VAL . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' LEU . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' PHE . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 46' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 59' ' ' LYS . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 7.5 m170 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 6.5 p30 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 54' ' ' TYR . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' HG ' ' N ' ' A' ' 102' ' ' LEU . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.403 ' N ' ' HG ' ' A' ' 101' ' ' SER . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG23 ' CE2' ' A' ' 30' ' ' TYR . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.24 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' ND2' ' HE2' ' A' ' 72' ' ' MET . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' CB ' ' A' ' 64' ' ' MET . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.483 ' SD ' ' CZ ' ' A' ' 86' ' ' PHE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HE2' ' ND2' ' A' ' 21' ' ' ASN . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 89' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 93' ' ' ALA . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.463 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' HIS . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.771 0.238 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CD1' HG11 ' A' ' 113' ' ' VAL . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASP . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' HE3' ' A' ' 88' ' ' MET . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 86' ' ' PHE . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 m120 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 67' ' ' ILE . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' HE3' ' CD ' ' A' ' 60' ' ' LYS . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.519 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 104' ' ' TYR . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.486 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 117' ' ' THR . 29.8 mmm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.239 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE2' HG22 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 42' ' ' PHE . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE1' ' CG ' ' A' ' 85' ' ' ASP . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.428 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ASP . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' ASP . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.491 HG22 ' CE2' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.763 0.235 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' HB3' ' NH2' ' A' ' 37' ' ' ARG . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' SER . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' ND2' ' A' ' 92' ' ' ASN . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.422 ' CE ' ' HE2' ' A' ' 72' ' ' MET . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.422 ' HE2' ' CE ' ' A' ' 71' ' ' MET . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CE2' ' CB ' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CD2' ' CE ' ' A' ' 89' ' ' MET . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.535 ' CE ' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 58' ' ' ILE . 40.9 t-20 -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.481 ' N ' HG23 ' A' ' 103' ' ' ILE . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 111' ' ' HIS . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 116' ' ' GLU . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' C ' HG23 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.798 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.609 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 96' ' ' TYR . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.609 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 96' ' ' TYR . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.43 ' CE1' HG22 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.508 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 86' ' ' PHE . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -167.14 155.91 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -147.57 173.04 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.89 167.24 33.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -154.04 170.5 20.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -162.32 149.91 14.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.53 46.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -107.46 102.61 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.01 22.2 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -151.13 172.88 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -69.08 97.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -134.63 155.51 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' MET . 5.8 ptp -79.53 115.3 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -135.87 151.16 73.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -18.92 36.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.55 ' CE2' HG21 ' A' ' 113' ' ' VAL . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CZ ' ' CD1' ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.456 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.456 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.444 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.534 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 30' ' ' TYR . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 -34.53 129.2 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -113.92 137.79 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -90.63 166.82 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.02 130.21 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 57.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -52.94 150.37 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -119.6 111.83 18.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.04 86.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -154.04 138.99 17.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.872 0.367 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -101.52 120.32 40.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -138.35 179.91 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -77.05 -46.44 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -68.47 169.57 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' TYR . 19.5 mmt -34.52 133.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.1 p -115.48 150.13 44.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.52 12.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 54' ' ' TYR . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' C ' HD11 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.539 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.544 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 113' ' ' VAL . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -43.21 -56.16 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -135.66 165.18 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -102.12 -46.48 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 -107.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 50.26 42.29 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -63.91 143.77 57.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 121.54 6.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.97 -58.3 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 123.02 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -99.57 121.96 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -122.08 -57.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -61.21 141.92 57.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptm -39.25 142.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -134.69 144.07 49.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.73 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE1' HG23 ' A' ' 113' ' ' VAL . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 61' ' ' PRO . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' N ' HG21 ' A' ' 58' ' ' ILE . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' ALA . 31.4 m170 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 80' ' ' ASP . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' ND2' HG22 ' A' ' 103' ' ' ILE . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.496 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.417 ' CG ' HD22 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 30' ' ' TYR . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -46.85 121.89 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -102.47 138.1 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 38.72 42.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.99 170.48 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 150.88 7.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -157.15 173.07 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -145.13 142.12 29.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.38 -140.68 10.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -119.05 175.33 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -100.02 38.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -136.27 127.73 28.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -105.01 98.1 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -131.13 115.55 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.6 mmm 43.29 31.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -72.28 152.24 92.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.22 35.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' CG ' HD11 ' A' ' 79' ' ' ILE . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' CD ' ' HA ' ' A' ' 19' ' ' LYS . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CE1' ' CG2' ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.457 ' CE1' HD12 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 54' ' ' TYR . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD11 ' C ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HD3' ' CE ' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.415 HG12 ' CG ' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.467 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.457 HD11 ' CG ' ' A' ' 19' ' ' LYS . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' ASP . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' CG ' HG12 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 104' ' ' TYR . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 111' ' ' HIS . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.597 ' CG2' ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 -38.46 122.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -107.89 143.58 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 p -85.23 151.24 24.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -136.73 128.2 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.8 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.01 -68.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -57.36 -44.06 84.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -77.38 157.61 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.65 -39.6 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -48.53 145.51 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -102.26 172.53 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 p 34.3 44.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' SER . 24.0 mttp -36.52 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' CG ' ' N ' ' A' ' 13' ' ' MET . 2.9 p90 -125.68 -56.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 3.5 tpt -120.57 68.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 p -122.97 153.99 64.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.704 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -0.64 7.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 ' CD2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.458 ' CB ' ' HE1' ' A' ' 71' ' ' MET . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' HG22 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.526 HG13 ' CE1' ' A' ' 54' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.452 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.422 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.564 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CB ' HD21 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.452 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.504 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 111' ' ' HIS . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 110' ' ' LEU . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 116' ' ' GLU . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 -37.39 -50.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -150.35 157.46 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -64.24 90.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -64.99 82.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.44 140.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -174.77 170.16 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -144.49 172.77 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 175.23 34.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -50.59 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.35 149.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -91.6 -58.46 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -70.7 95.07 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 9.0 p90 -173.11 147.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -58.42 111.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.4 145.84 43.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -33.15 17.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' HD12 ' A' ' 114' ' ' LEU . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 30' ' ' TYR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.49 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.428 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' CE2' ' SD ' ' A' ' 64' ' ' MET . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' LEU . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.448 HD12 ' CG1' ' A' ' 23' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 -35.94 117.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -75.35 113.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p 44.11 42.19 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.26 156.44 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.14 -157.15 10.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -76.91 160.93 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -114.84 103.68 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 154.22 25.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -106.9 93.61 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 139.94 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -119.84 53.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 12' ' ' TYR . 7.7 mptt -77.14 -174.58 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.1 p90 -32.91 -46.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -155.73 124.62 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 p -149.49 155.6 39.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 76' ' ' TYR . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 1.4 p30 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.523 ' CE2' HG23 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD12 ' C ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.514 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 95' ' ' THR . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' HIS . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.523 HG23 ' CE2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -40.25 -44.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 119' ' ' ARG . 4.9 tmm_? -95.25 123.04 38.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -157.97 164.11 37.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -111.24 178.61 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.25 -179.31 31.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -154.05 162.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -161.1 120.74 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 59.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -58.82 -45.6 89.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -150.98 151.09 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.1 p -39.58 -59.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -52.53 114.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -141.23 114.77 8.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.8 mtp -91.16 111.56 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.74 144.41 41.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.89 19.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.584 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' TYR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' CE1' HG22 ' A' ' 113' ' ' VAL . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' CD2' ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 54' ' ' TYR . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.457 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 70' ' ' HIS . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.535 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 30' ' ' TYR . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -45.04 -56.45 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 52.64 28.17 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -150.98 164.79 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -166.51 166.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 46.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -90.52 158.18 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -85.77 -51.7 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.98 -79.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -76.53 114.04 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -132.21 175.53 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.6 p -93.97 173.82 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -82.1 122.68 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -127.95 144.56 51.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.0 tpp -82.5 109.2 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -96.57 147.67 33.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.509 0.671 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -0.85 7.52 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 19' ' ' LYS . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.505 ' CD2' HG13 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 ' CG1' ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 54' ' ' TYR . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE1' HD22 ' A' ' 45' ' ' LEU . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.419 HG21 ' ND2' ' A' ' 92' ' ' ASN . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' LYS . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' ARG . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 16.8 m120 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 82' ' ' MET . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 58' ' ' ILE . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' N ' HG23 ' A' ' 103' ' ' ILE . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' HIS . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.505 HG13 ' CD2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -42.9 -44.95 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -99.97 157.84 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.51 167.63 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -88.74 -49.33 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 131.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -144.15 149.52 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.49 138.31 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.58 92.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 149.2 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -107.07 81.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 t -64.77 -56.6 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 52.59 52.23 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -120.36 150.19 41.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 30.6 mmt -58.14 114.23 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -144.94 150.16 45.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -12.26 32.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' CG1' ' HE1' ' A' ' 82' ' ' MET . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' N ' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.411 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.443 ' HE1' ' CG1' ' A' ' 23' ' ' VAL . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CG ' HD23 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' PHE . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.46 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' HIS . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.447 ' HA ' ' CG ' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.519 HD23 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -41.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.57 148.38 29.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.17 149.98 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -109.35 178.18 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.66 157.83 21.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -139.86 172.99 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -84.47 139.73 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 -160.44 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -168.61 106.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -76.93 110.35 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -66.8 174.93 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.17 -50.71 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.36 131.18 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.1 tpt -78.67 118.8 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p -101.74 145.83 31.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -19.61 35.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 ' CG1' ' HE3' ' A' ' 82' ' ' MET . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' CE1' HG22 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 110' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD23 ' CE ' ' A' ' 64' ' ' MET . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 66' ' ' LYS . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.409 ' CE ' HD23 ' A' ' 43' ' ' LEU . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.491 ' HE2' ' CD2' ' A' ' 24' ' ' TYR . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.487 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' MET . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.52 ' CE2' HD11 ' A' ' 108' ' ' LEU . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -41.36 -47.63 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 21.6 ttm105 -123.12 167.71 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' A' ' 119' ' ' ARG . 14.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -157.47 136.26 11.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -154.46 173.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 -173.64 42.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -171.14 172.68 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -171.14 171.48 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.91 128.96 2.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.77 141.45 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -148.77 156.41 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.6 t -129.63 -35.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' SER . 56.4 mmtt -37.82 -55.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.51 165.08 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ttm -42.52 165.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -128.49 153.37 79.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.712 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.16 35.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.23 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.6 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.421 ' CG2' ' CD ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' CD ' ' CG2' ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 39' ' ' SER . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' HD2' ' A' ' 46' ' ' PRO . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.6 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG23 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.44 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.454 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 102' ' ' LEU . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 104' ' ' TYR . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD2' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.49 ' CG2' ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.439 ' NE ' HG23 ' A' ' 79' ' ' ILE . 4.6 mmm180 -42.18 139.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -129.71 98.52 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -88.34 131.24 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -87.18 -56.47 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.69 -137.39 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -65.44 119.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -135.82 145.54 46.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.53 -111.22 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -66.81 89.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -118.92 81.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -106.4 -70.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -148.73 120.41 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.58 154.9 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.2 mtm -53.09 170.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 p -118.88 146.87 41.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.15 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.511 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 106' ' ' ASP . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.414 ' CG ' HD23 ' A' ' 102' ' ' LEU . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -40.95 -57.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.21 128.83 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -56.71 117.21 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -130.82 176.65 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 -136.36 4.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -113.86 124.16 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t 46.11 44.32 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 120.44 5.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -131.45 -47.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -47.95 156.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 87.6 p -101.62 149.3 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 3.4 mppt? -144.9 171.19 14.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 13' ' ' MET . 5.0 p90 -35.3 -52.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 64.9 mmm -133.61 112.26 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 61.1 p -154.09 151.44 24.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' HE3' ' A' ' 82' ' ' MET . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' HG21 ' A' ' 113' ' ' VAL . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' CD1' HD23 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG22 ' CZ ' ' A' ' 42' ' ' PHE . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 103' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.427 ' HE3' ' N ' ' A' ' 24' ' ' TYR . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' MET . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.524 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 30' ' ' TYR . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -97.94 -2.81 39.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -90.48 23.73 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -90.3 175.48 7.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -90.18 166.36 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.08 94.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -138.6 136.53 36.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -113.56 176.64 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.75 93.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -113.85 42.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -78.23 -48.91 14.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -142.34 136.09 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -119.45 135.11 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -109.76 135.98 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.7 mtp -56.54 139.21 50.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -130.52 145.46 57.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.18 13.52 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' A' ' 113' ' ' VAL . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 43' ' ' LEU . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' PHE . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 46' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 59' ' ' LYS . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.552 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 7.5 m170 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 6.5 p30 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 54' ' ' TYR . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' HG ' ' N ' ' A' ' 102' ' ' LEU . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' N ' ' HG ' ' A' ' 101' ' ' SER . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG23 ' CE2' ' A' ' 30' ' ' TYR . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? -34.42 -51.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.52 142.92 45.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -143.54 175.06 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -172.94 173.65 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 130.92 2.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -163.49 151.03 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.547 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 83.3 p -84.4 177.24 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.01 -30.2 8.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -40.88 98.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -58.05 179.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 6.1 t 74.85 54.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.9 OUTLIER 65.97 54.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CE1' HG21 ' A' ' 14' ' ' THR . 28.4 t80 -37.17 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LYS . 66.6 mtp -91.53 121.33 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.563 HG21 ' CE1' ' A' ' 12' ' ' TYR . 20.2 p -158.89 154.46 22.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.078 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -24.91 28.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' ND2' ' HE2' ' A' ' 72' ' ' MET . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' CB ' ' A' ' 64' ' ' MET . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.452 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' HA ' ' CD2' ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.483 ' SD ' ' CZ ' ' A' ' 86' ' ' PHE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HE2' ' ND2' ' A' ' 21' ' ' ASN . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 71' ' ' MET . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 89' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 93' ' ' ALA . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.463 ' HB2' ' CD1' ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 111' ' ' HIS . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 119' ' ' ARG . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -34.15 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 116' ' ' GLU . 18.8 mtp180 -117.81 112.83 20.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -88.28 89.3 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -53.92 -47.68 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.77 173.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -171.82 143.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 p -46.66 164.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.67 -179.59 38.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 176.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -59.38 111.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 m -109.35 126.71 53.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -74.95 101.61 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -137.46 106.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -109.15 136.62 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.83 143.0 46.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.01 27.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.51 ' CD1' HG11 ' A' ' 113' ' ' VAL . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 110' ' ' LEU . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' ASP . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' CD ' ' HE3' ' A' ' 88' ' ' MET . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 86' ' ' PHE . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 m120 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 67' ' ' ILE . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' HE3' ' CD ' ' A' ' 60' ' ' LYS . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.547 ' O ' ' CG ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.519 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 104' ' ' TYR . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.486 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' ARG . 29.8 mmm-85 -36.88 154.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ARG . 83.7 mtm180 -35.07 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -60.51 131.2 50.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -157.89 123.73 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.4 158.45 27.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.79 174.28 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -51.21 148.93 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.76 119.72 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -169.5 135.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -125.1 85.04 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.0 m -118.95 86.7 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -167.33 157.26 10.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -98.32 171.33 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 ptm -40.54 133.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.27 151.23 77.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -23.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.502 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' CE2' HG22 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' CD2' ' A' ' 42' ' ' PHE . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.497 ' CD2' HG22 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 58' ' ' ILE . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.41 ' HE1' ' CG ' ' A' ' 85' ' ' ASP . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.502 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.428 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ASP . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' ASP . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.474 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.474 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.491 HG22 ' CE2' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -39.83 131.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -74.59 121.53 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.6 t -113.88 -45.38 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 m -37.46 121.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.64 -84.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.22 146.84 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.44 138.98 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.21 -179.26 20.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -78.19 -39.46 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 108.94 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -93.49 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -64.32 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.27 171.03 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 tpt -47.99 129.74 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -137.48 151.99 72.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.532 0.682 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' HB3' ' NH2' ' A' ' 37' ' ' ARG . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' SER . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' ND2' ' A' ' 92' ' ' ASN . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.422 ' CE ' ' HE2' ' A' ' 72' ' ' MET . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.422 ' HE2' ' CE ' ' A' ' 71' ' ' MET . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.561 ' CE2' ' CB ' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CD2' ' CE ' ' A' ' 89' ' ' MET . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.535 ' CE ' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.468 ' ND2' HG12 ' A' ' 58' ' ' ILE . 40.9 t-20 -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.481 ' N ' HG23 ' A' ' 103' ' ' ILE . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 111' ' ' HIS . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 116' ' ' GLU . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' C ' HG23 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 -38.0 -43.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 22.0 ttm105 -149.64 120.94 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -78.31 147.74 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 72.2 m -133.94 105.01 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 36.38 84.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.1 p -35.67 146.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -38.73 115.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 59.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -95.43 -51.75 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -84.18 -45.53 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t -122.61 110.31 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -127.6 162.66 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -108.29 121.58 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.42 82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -67.69 148.19 98.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.71 33.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.609 ' CD1' ' CZ ' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CD2' HG23 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 96' ' ' TYR . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' GLU . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.609 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 96' ' ' TYR . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.43 ' CE1' HG22 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.508 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.445 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.57 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 86' ' ' PHE . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -76.13 121.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -58.2 134.83 56.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.815 0.256 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 110' ' ' LEU . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 110' ' ' LEU . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.855 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 63' ' ' ASP . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HA ' HD12 ' A' ' 56' ' ' LEU . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 53' ' ' ASP . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 96' ' ' TYR . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG13 HD21 ' A' ' 114' ' ' LEU . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.761 ' HB2' HD11 ' A' ' 58' ' ' ILE . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.795 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 38' ' ' LEU . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 109' ' ' VAL . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 83' ' ' VAL . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.737 0.224 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.956 ' HB2' HD21 ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 43' ' ' LEU . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.727 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 58' ' ' ILE . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 83' ' ' VAL . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB2' HD11 ' A' ' 58' ' ' ILE . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 113' ' ' VAL . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.956 HD21 ' HB2' ' A' ' 38' ' ' LEU . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 83' ' ' VAL . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' CD ' HG21 ' A' ' 79' ' ' ILE . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.814 0.256 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 43' ' ' LEU . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HD2' HD13 ' A' ' 38' ' ' LEU . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 63' ' ' ASP . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 54' ' ' TYR . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.634 ' HB2' HD23 ' A' ' 51' ' ' LEU . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 53' ' ' ASP . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HB2' HD13 ' A' ' 45' ' ' LEU . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ALA . 28.9 m-70 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.754 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.509 HD11 ' HD2' ' A' ' 19' ' ' LYS . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 87' ' ' VAL . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 83' ' ' VAL . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 95' ' ' THR . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ASN . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' VAL . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 83' ' ' VAL . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.752 0.23 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HG21 ' A' ' 117' ' ' THR . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 110' ' ' LEU . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 37' ' ' ARG . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 54' ' ' TYR . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.533 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' HB3' HD13 ' A' ' 45' ' ' LEU . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.527 HD11 ' OD1' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.488 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 81' ' ' SER . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' MET . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.427 ' HG ' ' HD1' ' A' ' 76' ' ' TYR . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 114' ' ' LEU . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD1' HD11 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.476 ' HE2' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LYS . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 27' ' ' VAL . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 83' ' ' VAL . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.447 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.767 0.236 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.657 HG22 ' HB ' ' A' ' 117' ' ' THR . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.774 HD11 ' HB2' ' A' ' 96' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.495 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' HB3' HD23 ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 19' ' ' LYS . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' CB ' HD22 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.495 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.774 ' HB2' HD11 ' A' ' 58' ' ' ILE . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.534 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' LEU . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 30' ' ' TYR . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.657 ' HB ' HG22 ' A' ' 23' ' ' VAL . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 31' ' ' THR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' ASN . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' N ' HG22 ' A' ' 31' ' ' THR . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' CG ' ' A' ' 106' ' ' ASP . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 53' ' ' ASP . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HG23 ' A' ' 95' ' ' THR . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 86' ' ' PHE . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.533 ' O ' HG22 ' A' ' 95' ' ' THR . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.751 HG23 HD11 ' A' ' 58' ' ' ILE . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.676 ' CG ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 105' ' ' LYS . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.775 0.24 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 HD13 ' A' ' 79' ' ' ILE . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 110' ' ' LEU . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CD2' HG11 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' SER . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 96' ' ' TYR . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 HD23 ' A' ' 20' ' ' LEU . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 67' ' ' ILE . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 51' ' ' LEU . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 38' ' ' LEU . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 38' ' ' LEU . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.783 0.243 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.871 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' THR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' ASN . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 37' ' ' ARG . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.562 ' HD2' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.578 HD23 ' CG ' ' A' ' 63' ' ' ASP . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.768 ' SD ' HD11 ' A' ' 67' ' ' ILE . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' CG ' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.768 HD11 ' SD ' ' A' ' 62' ' ' MET . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.871 ' CE2' HD13 ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.509 ' OD1' HD23 ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 113' ' ' VAL . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 109' ' ' VAL . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 17' ' ' GLN . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG13 HD22 ' A' ' 110' ' ' LEU . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' HG21 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 37' ' ' ARG . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HG3' HG22 ' A' ' 31' ' ' THR . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 63' ' ' ASP . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' CB ' HD13 ' A' ' 45' ' ' LEU . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 24.5 m-80 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 109' ' ' VAL . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 105' ' ' LYS . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD22 HG13 ' A' ' 27' ' ' VAL . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 HD22 ' A' ' 110' ' ' LEU . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' THR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 29' ' ' ASN . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 38' ' ' LEU . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 38' ' ' LEU . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.805 HD23 ' HB3' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.764 ' HA ' HD23 ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' OH ' HD11 ' A' ' 45' ' ' LEU . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.805 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.866 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.609 ' CG ' HD22 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 HG13 ' A' ' 27' ' ' VAL . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.604 HG13 ' OE2' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.609 HD22 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.604 ' OE2' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.804 0.252 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 43' ' ' LEU . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 31' ' ' THR . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 29' ' ' ASN . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 HG12 ' A' ' 103' ' ' ILE . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 54' ' ' TYR . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.813 ' HB2' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 67' ' ' ILE . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.61 HD11 ' SD ' ' A' ' 62' ' ' MET . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 68' ' ' ARG . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 83' ' ' VAL . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 83' ' ' VAL . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.53 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 113' ' ' VAL . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.761 0.234 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 117' ' ' THR . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.933 HD22 ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.506 HD13 HD12 ' A' ' 103' ' ' ILE . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 63' ' ' ASP . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 51' ' ' LEU . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' THR . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 58' ' ' ILE . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HG23 ' A' ' 57' ' ' THR . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.624 ' HB2' HD12 ' A' ' 45' ' ' LEU . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.735 HG21 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.454 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 57' ' ' THR . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 103' ' ' ILE . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.723 ' H ' HD23 ' A' ' 102' ' ' LEU . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.933 ' OD2' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 113' ' ' VAL . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.675 HG21 ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.735 ' NE ' HG21 ' A' ' 79' ' ' ILE . 4.6 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.756 0.232 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 110' ' ' LEU . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 63' ' ' ASP . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 51' ' ' LEU . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 45' ' ' LEU . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 85' ' ' ASP . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.673 ' HB3' HD11 ' A' ' 67' ' ' ILE . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' VAL . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.624 ' OD1' HD13 ' A' ' 103' ' ' ILE . 11.1 m120 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.624 HD13 ' OD1' ' A' ' 97' ' ' ASN . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.542 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' A' ' 108' ' ' LEU . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 105' ' ' LYS . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 27' ' ' VAL . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.689 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.766 0.236 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' A' ' 79' ' ' ILE . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD1' HG23 ' A' ' 41' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 46' ' ' PRO . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 45' ' ' LEU . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 53' ' ' ASP . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.681 HD13 ' CE1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 19' ' ' LYS . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.681 ' CE1' HD13 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' VAL . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.991 ' HB1' HD11 ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 103' ' ' ILE . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.991 HD11 ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.796 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.7 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.863 ' HG3' HD11 ' A' ' 79' ' ' ILE . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 79' ' ' ILE . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 43' ' ' LEU . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.654 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.922 ' CE1' HD11 ' A' ' 103' ' ' ILE . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' ALA . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 61' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.956 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.805 ' HB2' HD23 ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HB2' HD21 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.67 HD13 ' CE2' ' A' ' 86' ' ' PHE . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.7 m-70 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 2.7 p-10 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' A' ' 67' ' ' ILE . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.863 HD11 ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.67 ' CE2' HD13 ' A' ' 67' ' ' ILE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.922 HD11 ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.24 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' CG2' ' A' ' 117' ' ' THR . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 110' ' ' LEU . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD23 ' CB ' ' A' ' 106' ' ' ASP . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.44 HD13 HD12 ' A' ' 103' ' ' ILE . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 40' ' ' ALA . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 54' ' ' TYR . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.448 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.878 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 45' ' ' LEU . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.655 ' HA ' HD13 ' A' ' 67' ' ' ILE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.714 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.885 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 87' ' ' VAL . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CZ ' ' SD ' ' A' ' 64' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.709 ' HD1' ' HB1' ' A' ' 107' ' ' ALA . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 58' ' ' ILE . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 104' ' ' TYR . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 38' ' ' LEU . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.709 ' HB1' ' HD1' ' A' ' 90' ' ' PHE . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 27' ' ' VAL . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 23' ' ' VAL . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.771 0.238 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 79' ' ' ILE . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' ASN . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 54' ' ' TYR . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HD2' HD23 ' A' ' 51' ' ' LEU . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 71' ' ' MET . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' ALA . 8.9 m-80 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 20' ' ' LEU . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ASP . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 95' ' ' THR . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 92' ' ' ASN . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 107' ' ' ALA . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 83' ' ' VAL . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 117' ' ' THR . 29.8 mmm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.239 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 110' ' ' LEU . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 38' ' ' LEU . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CD2' HG23 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' HA ' HD12 ' A' ' 56' ' ' LEU . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' ASP . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 58' ' ' ILE . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 57' ' ' THR . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 67' ' ' ILE . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB3' HD21 ' A' ' 45' ' ' LEU . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.711 HD11 ' SD ' ' A' ' 62' ' ' MET . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 20' ' ' LEU . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 67' ' ' ILE . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 41' ' ' ILE . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.602 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 105' ' ' LYS . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.535 HD22 HG13 ' A' ' 27' ' ' VAL . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.763 0.235 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 79' ' ' ILE . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG13 HD22 ' A' ' 110' ' ' LEU . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 106' ' ' ASP . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 40' ' ' ALA . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 63' ' ' ASP . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.618 HG22 HD12 ' A' ' 58' ' ' ILE . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.618 HD12 HG22 ' A' ' 57' ' ' THR . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 67' ' ' ILE . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.679 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 82' ' ' MET . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 20' ' ' LEU . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.708 ' HG3' HG23 ' A' ' 67' ' ' ILE . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.662 ' HE1' HG21 ' A' ' 67' ' ' ILE . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.561 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' A' ' 103' ' ' ILE . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.649 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 113' ' ' VAL . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 27' ' ' VAL . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 115' ' ' LEU . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 30' ' ' TYR . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' HG22 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 112' ' ' LYS . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.798 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 110' ' ' LEU . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 50' ' ' GLU . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 53' ' ' ASP . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 58' ' ' ILE . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 57' ' ' THR . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 67' ' ' ILE . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 64' ' ' MET . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 95' ' ' THR . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' ASN . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.956 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.711 ' CE1' HD11 ' A' ' 108' ' ' LEU . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 27' ' ' VAL . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 1.1 t60 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 83' ' ' VAL . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH2' HG21 ' A' ' 83' ' ' VAL . 1.5 tpp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -167.14 155.91 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -147.57 173.04 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.89 167.24 33.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -154.04 170.5 20.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -162.32 149.91 14.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.53 46.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -107.46 102.61 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.01 22.2 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.41 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 2.7 m -151.13 172.88 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -69.08 97.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -134.63 155.51 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' MET . 5.8 ptp -79.53 115.3 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -135.87 151.16 73.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -18.92 36.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 110' ' ' LEU . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 110' ' ' LEU . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.855 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 63' ' ' ASP . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HA ' HD12 ' A' ' 56' ' ' LEU . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 53' ' ' ASP . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 96' ' ' TYR . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG13 HD21 ' A' ' 114' ' ' LEU . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.761 ' HB2' HD11 ' A' ' 58' ' ' ILE . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.795 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 38' ' ' LEU . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 109' ' ' VAL . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 83' ' ' VAL . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 -34.53 129.2 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -113.92 137.79 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -90.63 166.82 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.02 130.21 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 57.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -52.94 150.37 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -119.6 111.83 18.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.04 86.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -154.04 138.99 17.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.872 0.367 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -101.52 120.32 40.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -138.35 179.91 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -77.05 -46.44 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -68.47 169.57 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' TYR . 19.5 mmt -34.52 133.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.1 p -115.48 150.13 44.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.52 12.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.956 ' HB2' HD21 ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 43' ' ' LEU . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.727 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 58' ' ' ILE . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 83' ' ' VAL . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB2' HD11 ' A' ' 58' ' ' ILE . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 113' ' ' VAL . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.956 HD21 ' HB2' ' A' ' 38' ' ' LEU . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 83' ' ' VAL . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' CD ' HG21 ' A' ' 79' ' ' ILE . 15.9 mtp180 -43.21 -56.16 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -135.66 165.18 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -102.12 -46.48 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 -107.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 50.26 42.29 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -63.91 143.77 57.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 121.54 6.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.97 -58.3 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 123.02 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -99.57 121.96 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -122.08 -57.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -61.21 141.92 57.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptm -39.25 142.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -134.69 144.07 49.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.73 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 43' ' ' LEU . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HD2' HD13 ' A' ' 38' ' ' LEU . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 63' ' ' ASP . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 54' ' ' TYR . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.634 ' HB2' HD23 ' A' ' 51' ' ' LEU . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 53' ' ' ASP . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HB2' HD13 ' A' ' 45' ' ' LEU . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 73' ' ' ALA . 28.9 m-70 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.754 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.509 HD11 ' HD2' ' A' ' 19' ' ' LYS . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 87' ' ' VAL . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 83' ' ' VAL . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 95' ' ' THR . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ASN . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' VAL . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 83' ' ' VAL . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -46.85 121.89 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -102.47 138.1 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 38.72 42.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.99 170.48 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 150.88 7.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -157.15 173.07 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -145.13 142.12 29.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.38 -140.68 10.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -119.05 175.33 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -100.02 38.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -136.27 127.73 28.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -105.01 98.1 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -131.13 115.55 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.6 mmm 43.29 31.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -72.28 152.24 92.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.22 35.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HG21 ' A' ' 117' ' ' THR . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 110' ' ' LEU . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 37' ' ' ARG . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 54' ' ' TYR . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.533 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' HB3' HD13 ' A' ' 45' ' ' LEU . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.527 HD11 ' OD1' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.488 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 81' ' ' SER . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' MET . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.427 ' HG ' ' HD1' ' A' ' 76' ' ' TYR . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 114' ' ' LEU . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD1' HD11 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.476 ' HE2' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LYS . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 27' ' ' VAL . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 83' ' ' VAL . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.447 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 -38.46 122.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -107.89 143.58 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 p -85.23 151.24 24.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -136.73 128.2 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.8 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.01 -68.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -57.36 -44.06 84.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -77.38 157.61 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.65 -39.6 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -48.53 145.51 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -102.26 172.53 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 p 34.3 44.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' SER . 24.0 mttp -36.52 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' CG ' ' N ' ' A' ' 13' ' ' MET . 2.9 p90 -125.68 -56.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 3.5 tpt -120.57 68.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 p -122.97 153.99 64.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.704 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -0.64 7.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.657 HG22 ' HB ' ' A' ' 117' ' ' THR . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.774 HD11 ' HB2' ' A' ' 96' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.495 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' HB3' HD23 ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 19' ' ' LYS . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' CB ' HD22 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.495 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.774 ' HB2' HD11 ' A' ' 58' ' ' ILE . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.534 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' LEU . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 30' ' ' TYR . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.657 ' HB ' HG22 ' A' ' 23' ' ' VAL . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 -37.39 -50.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -150.35 157.46 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -64.24 90.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -64.99 82.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.44 140.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -174.77 170.16 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -144.49 172.77 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 175.23 34.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -50.59 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.35 149.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -91.6 -58.46 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -70.7 95.07 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 9.0 p90 -173.11 147.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -58.42 111.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.553 HG23 ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -121.4 145.84 43.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -33.15 17.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' A' ' 14' ' ' THR . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 31' ' ' THR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' ASN . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' N ' HG22 ' A' ' 31' ' ' THR . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' CG ' ' A' ' 106' ' ' ASP . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 53' ' ' ASP . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HG23 ' A' ' 95' ' ' THR . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 86' ' ' PHE . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' O ' HG22 ' A' ' 95' ' ' THR . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.751 HG23 HD11 ' A' ' 58' ' ' ILE . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.676 ' CG ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 105' ' ' LYS . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 -35.94 117.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -75.35 113.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p 44.11 42.19 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.26 156.44 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.14 -157.15 10.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -76.91 160.93 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -114.84 103.68 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 154.22 25.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -106.9 93.61 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 139.94 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -119.84 53.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 12' ' ' TYR . 7.7 mptt -77.14 -174.58 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.1 p90 -32.91 -46.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -155.73 124.62 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 p -149.49 155.6 39.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 HD13 ' A' ' 79' ' ' ILE . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 110' ' ' LEU . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CD2' HG11 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' SER . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 96' ' ' TYR . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 HD23 ' A' ' 20' ' ' LEU . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 67' ' ' ILE . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 51' ' ' LEU . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 38' ' ' LEU . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 38' ' ' LEU . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -40.25 -44.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 119' ' ' ARG . 4.9 tmm_? -95.25 123.04 38.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -157.97 164.11 37.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -111.24 178.61 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.25 -179.31 31.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -154.05 162.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -161.1 120.74 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 59.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -58.82 -45.6 89.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -150.98 151.09 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.1 p -39.58 -59.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -52.53 114.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -141.23 114.77 8.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.8 mtp -91.16 111.56 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -138.74 144.41 41.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.139 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.89 19.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HB2' HG23 ' A' ' 14' ' ' THR . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.871 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' THR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' ASN . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 37' ' ' ARG . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.562 ' HD2' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD23 ' CG ' ' A' ' 63' ' ' ASP . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.768 ' SD ' HD11 ' A' ' 67' ' ' ILE . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' CG ' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.768 HD11 ' SD ' ' A' ' 62' ' ' MET . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.871 ' CE2' HD13 ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.509 ' OD1' HD23 ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 113' ' ' VAL . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 109' ' ' VAL . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -45.04 -56.45 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 52.64 28.17 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -150.98 164.79 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -166.51 166.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 46.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -90.52 158.18 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -85.77 -51.7 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.98 -79.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -76.53 114.04 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -132.21 175.53 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.6 p -93.97 173.82 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -82.1 122.68 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -127.95 144.56 51.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.0 tpp -82.5 109.2 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -96.57 147.67 33.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.509 0.671 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -0.85 7.52 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 17' ' ' GLN . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG13 HD22 ' A' ' 110' ' ' LEU . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' HG21 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 37' ' ' ARG . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HG3' HG22 ' A' ' 31' ' ' THR . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 63' ' ' ASP . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' CB ' HD13 ' A' ' 45' ' ' LEU . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 24.5 m-80 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 109' ' ' VAL . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 105' ' ' LYS . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD22 HG13 ' A' ' 27' ' ' VAL . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -42.9 -44.95 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -99.97 157.84 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.51 167.63 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -88.74 -49.33 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 131.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -144.15 149.52 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.49 138.31 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.58 92.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 149.2 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -107.07 81.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 t -64.77 -56.6 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 52.59 52.23 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -120.36 150.19 41.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 30.6 mmt -58.14 114.23 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -144.94 150.16 45.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -12.26 32.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 HD22 ' A' ' 110' ' ' LEU . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' THR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 29' ' ' ASN . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 38' ' ' LEU . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 38' ' ' LEU . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.805 HD23 ' HB3' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.764 ' HA ' HD23 ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' OH ' HD11 ' A' ' 45' ' ' LEU . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.805 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.866 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.609 ' CG ' HD22 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 HG13 ' A' ' 27' ' ' VAL . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.604 HG13 ' OE2' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.609 HD22 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.604 ' OE2' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -41.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.57 148.38 29.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.17 149.98 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -109.35 178.18 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.66 157.83 21.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -139.86 172.99 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -84.47 139.73 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 -160.44 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -168.61 106.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -76.93 110.35 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -66.8 174.93 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.17 -50.71 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.36 131.18 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.1 tpt -78.67 118.8 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p -101.74 145.83 31.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -19.61 35.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 43' ' ' LEU . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 31' ' ' THR . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 29' ' ' ASN . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 HG12 ' A' ' 103' ' ' ILE . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 54' ' ' TYR . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.813 ' HB2' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 67' ' ' ILE . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.61 HD11 ' SD ' ' A' ' 62' ' ' MET . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 68' ' ' ARG . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 83' ' ' VAL . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 83' ' ' VAL . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.53 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 113' ' ' VAL . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -41.36 -47.63 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 21.6 ttm105 -123.12 167.71 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 119' ' ' ARG . 14.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -157.47 136.26 11.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -154.46 173.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 -173.64 42.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -171.14 172.68 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -171.14 171.48 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.91 128.96 2.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.77 141.45 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -148.77 156.41 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.6 t -129.63 -35.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' SER . 56.4 mmtt -37.82 -55.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.51 165.08 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ttm -42.52 165.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -128.49 153.37 79.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.712 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.16 35.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.23 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 117' ' ' THR . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.933 HD22 ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.506 HD13 HD12 ' A' ' 103' ' ' ILE . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 63' ' ' ASP . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 51' ' ' LEU . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' THR . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 58' ' ' ILE . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HG23 ' A' ' 57' ' ' THR . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.624 ' HB2' HD12 ' A' ' 45' ' ' LEU . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.735 HG21 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.454 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 57' ' ' THR . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 103' ' ' ILE . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.723 ' H ' HD23 ' A' ' 102' ' ' LEU . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.933 ' OD2' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 113' ' ' VAL . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.675 HG21 ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.735 ' NE ' HG21 ' A' ' 79' ' ' ILE . 4.6 mmm180 -42.18 139.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -129.71 98.52 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -88.34 131.24 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -87.18 -56.47 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.69 -137.39 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -65.44 119.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -135.82 145.54 46.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.53 -111.22 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -66.81 89.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -118.92 81.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -106.4 -70.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -148.73 120.41 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.58 154.9 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.2 mtm -53.09 170.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 p -118.88 146.87 41.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.15 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 110' ' ' LEU . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 63' ' ' ASP . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 51' ' ' LEU . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 45' ' ' LEU . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 85' ' ' ASP . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.673 ' HB3' HD11 ' A' ' 67' ' ' ILE . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' VAL . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.624 ' OD1' HD13 ' A' ' 103' ' ' ILE . 11.1 m120 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.624 HD13 ' OD1' ' A' ' 97' ' ' ASN . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.542 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' A' ' 108' ' ' LEU . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 105' ' ' LYS . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 27' ' ' VAL . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.689 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -40.95 -57.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.21 128.83 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -56.71 117.21 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -130.82 176.65 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 -136.36 4.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -113.86 124.16 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t 46.11 44.32 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 120.44 5.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -131.45 -47.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -47.95 156.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.417 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 87.6 p -101.62 149.3 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 3.4 mppt? -144.9 171.19 14.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 13' ' ' MET . 5.0 p90 -35.3 -52.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 64.9 mmm -133.61 112.26 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 61.1 p -154.09 151.44 24.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' A' ' 79' ' ' ILE . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD1' HG23 ' A' ' 41' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 46' ' ' PRO . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 45' ' ' LEU . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 53' ' ' ASP . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.681 HD13 ' CE1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 19' ' ' LYS . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.681 ' CE1' HD13 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' VAL . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.991 ' HB1' HD11 ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 103' ' ' ILE . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.991 HD11 ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -97.94 -2.81 39.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -90.48 23.73 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -90.3 175.48 7.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -90.18 166.36 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.08 94.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -138.6 136.53 36.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -113.56 176.64 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.75 93.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -113.85 42.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -78.23 -48.91 14.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -142.34 136.09 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -119.45 135.11 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -109.76 135.98 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.7 mtp -56.54 139.21 50.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -130.52 145.46 57.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.18 13.52 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.2 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.863 ' HG3' HD11 ' A' ' 79' ' ' ILE . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 79' ' ' ILE . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 43' ' ' LEU . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.654 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.922 ' CE1' HD11 ' A' ' 103' ' ' ILE . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' ALA . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 61' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.956 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.805 ' HB2' HD23 ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HB2' HD21 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.67 HD13 ' CE2' ' A' ' 86' ' ' PHE . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 1.7 m-70 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 2.7 p-10 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' A' ' 67' ' ' ILE . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.863 HD11 ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.67 ' CE2' HD13 ' A' ' 67' ' ' ILE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.922 HD11 ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? -34.42 -51.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.52 142.92 45.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -143.54 175.06 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -172.94 173.65 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 130.92 2.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -163.49 151.03 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.557 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 83.3 p -84.4 177.24 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.01 -30.2 8.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -40.88 98.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -58.05 179.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 6.1 t 74.85 54.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 65.97 54.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG21 ' A' ' 14' ' ' THR . 28.4 t80 -37.17 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' THR . 66.6 mtp -91.53 121.33 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.618 HG21 ' CE1' ' A' ' 12' ' ' TYR . 20.2 p -158.89 154.46 22.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.078 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -24.91 28.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' CG2' ' A' ' 117' ' ' THR . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 110' ' ' LEU . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD23 ' CB ' ' A' ' 106' ' ' ASP . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.44 HD13 HD12 ' A' ' 103' ' ' ILE . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 40' ' ' ALA . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 54' ' ' TYR . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.448 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.878 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 45' ' ' LEU . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.655 ' HA ' HD13 ' A' ' 67' ' ' ILE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.714 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.885 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 87' ' ' VAL . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CZ ' ' SD ' ' A' ' 64' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.709 ' HD1' ' HB1' ' A' ' 107' ' ' ALA . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 58' ' ' ILE . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 104' ' ' TYR . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 38' ' ' LEU . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.709 ' HB1' ' HD1' ' A' ' 90' ' ' PHE . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 27' ' ' VAL . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 119' ' ' ARG . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 23' ' ' VAL . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -34.15 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 116' ' ' GLU . 18.8 mtp180 -117.81 112.83 20.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -88.28 89.3 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -53.92 -47.68 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.77 173.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -171.82 143.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 p -46.66 164.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.67 -179.59 38.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 176.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -59.38 111.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 m -109.35 126.71 53.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -74.95 101.61 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -137.46 106.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -109.15 136.62 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.83 143.0 46.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.01 27.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 79' ' ' ILE . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' ASN . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 54' ' ' TYR . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HD2' HD23 ' A' ' 51' ' ' LEU . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 71' ' ' MET . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' ALA . 8.9 m-80 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 20' ' ' LEU . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ASP . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 95' ' ' THR . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 92' ' ' ASN . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 107' ' ' ALA . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 83' ' ' VAL . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' ARG . 29.8 mmm-85 -36.88 154.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ARG . 83.7 mtm180 -35.07 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -60.51 131.2 50.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -157.89 123.73 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.4 158.45 27.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.79 174.28 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -51.21 148.93 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.76 119.72 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -169.5 135.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -125.1 85.04 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.0 m -118.95 86.7 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -167.33 157.26 10.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -98.32 171.33 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 ptm -40.54 133.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.27 151.23 77.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -23.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 110' ' ' LEU . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 38' ' ' LEU . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CD2' HG23 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' HA ' HD12 ' A' ' 56' ' ' LEU . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' ASP . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 58' ' ' ILE . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 57' ' ' THR . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 67' ' ' ILE . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB3' HD21 ' A' ' 45' ' ' LEU . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.711 HD11 ' SD ' ' A' ' 62' ' ' MET . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 20' ' ' LEU . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 67' ' ' ILE . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 41' ' ' ILE . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.602 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 105' ' ' LYS . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD22 HG13 ' A' ' 27' ' ' VAL . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -39.83 131.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -74.59 121.53 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.6 t -113.88 -45.38 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 m -37.46 121.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.64 -84.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.22 146.84 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.44 138.98 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.21 -179.26 20.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -78.19 -39.46 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 108.94 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -93.49 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -64.32 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.27 171.03 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 tpt -47.99 129.74 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -137.48 151.99 72.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.532 0.682 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 79' ' ' ILE . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG13 HD22 ' A' ' 110' ' ' LEU . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 106' ' ' ASP . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 40' ' ' ALA . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 63' ' ' ASP . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.618 HG22 HD12 ' A' ' 58' ' ' ILE . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.618 HD12 HG22 ' A' ' 57' ' ' THR . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 67' ' ' ILE . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.679 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 82' ' ' MET . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 20' ' ' LEU . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.708 ' HG3' HG23 ' A' ' 67' ' ' ILE . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.662 ' HE1' HG21 ' A' ' 67' ' ' ILE . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.561 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' A' ' 103' ' ' ILE . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.649 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 113' ' ' VAL . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 27' ' ' VAL . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 115' ' ' LEU . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 30' ' ' TYR . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' HG22 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 112' ' ' LYS . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 -38.0 -43.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 22.0 ttm105 -149.64 120.94 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -78.31 147.74 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 72.2 m -133.94 105.01 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 36.38 84.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.1 p -35.67 146.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -38.73 115.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 59.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -95.43 -51.75 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -84.18 -45.53 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t -122.61 110.31 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -127.6 162.66 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -108.29 121.58 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.42 82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -67.69 148.19 98.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.71 33.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 110' ' ' LEU . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 50' ' ' GLU . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 53' ' ' ASP . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 58' ' ' ILE . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 57' ' ' THR . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 67' ' ' ILE . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 64' ' ' MET . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 95' ' ' THR . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' ASN . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.956 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.711 ' CE1' HD11 ' A' ' 108' ' ' LEU . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 27' ' ' VAL . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 1.1 t60 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 83' ' ' VAL . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH2' HG21 ' A' ' 83' ' ' VAL . 1.5 tpp85 -76.13 121.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -58.2 134.83 56.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.815 0.256 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 110' ' ' LEU . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 110' ' ' LEU . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.855 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 63' ' ' ASP . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HA ' HD12 ' A' ' 56' ' ' LEU . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 53' ' ' ASP . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 96' ' ' TYR . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG13 HD21 ' A' ' 114' ' ' LEU . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.761 ' HB2' HD11 ' A' ' 58' ' ' ILE . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.795 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 38' ' ' LEU . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 109' ' ' VAL . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 83' ' ' VAL . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.737 0.224 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.956 ' HB2' HD21 ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 43' ' ' LEU . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.727 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 58' ' ' ILE . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 83' ' ' VAL . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB2' HD11 ' A' ' 58' ' ' ILE . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 113' ' ' VAL . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.956 HD21 ' HB2' ' A' ' 38' ' ' LEU . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 83' ' ' VAL . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' CD ' HG21 ' A' ' 79' ' ' ILE . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 CA-C-O 120.814 0.256 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 43' ' ' LEU . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HD2' HD13 ' A' ' 38' ' ' LEU . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 HD21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 63' ' ' ASP . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 54' ' ' TYR . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.634 ' HB2' HD23 ' A' ' 51' ' ' LEU . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 53' ' ' ASP . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HB2' HD13 ' A' ' 45' ' ' LEU . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 31.4 m170 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.754 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.509 HD11 ' HD2' ' A' ' 19' ' ' LYS . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 87' ' ' VAL . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 83' ' ' VAL . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 95' ' ' THR . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ASN . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' VAL . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 83' ' ' VAL . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.752 0.23 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HG21 ' A' ' 117' ' ' THR . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 110' ' ' LEU . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 37' ' ' ARG . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 54' ' ' TYR . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.533 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.502 ' HB3' HD13 ' A' ' 45' ' ' LEU . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.527 HD11 ' OD1' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.488 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 81' ' ' SER . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' MET . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.427 ' HG ' ' HD1' ' A' ' 76' ' ' TYR . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 114' ' ' LEU . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD1' HD11 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.476 ' HE2' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LYS . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 27' ' ' VAL . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 83' ' ' VAL . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.447 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.767 0.236 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.657 HG22 ' HB ' ' A' ' 117' ' ' THR . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.774 HD11 ' HB2' ' A' ' 96' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.495 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' HB3' HD23 ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 19' ' ' LYS . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' CB ' HD22 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.495 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.774 ' HB2' HD11 ' A' ' 58' ' ' ILE . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.534 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' LEU . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 30' ' ' TYR . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.657 ' HB ' HG22 ' A' ' 23' ' ' VAL . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 31' ' ' THR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' ASN . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.533 ' N ' HG22 ' A' ' 31' ' ' THR . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' CG ' ' A' ' 106' ' ' ASP . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 53' ' ' ASP . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HG23 ' A' ' 95' ' ' THR . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 86' ' ' PHE . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.533 ' O ' HG22 ' A' ' 95' ' ' THR . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.751 HG23 HD11 ' A' ' 58' ' ' ILE . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.676 ' CG ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 105' ' ' LYS . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.775 0.24 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 HD13 ' A' ' 79' ' ' ILE . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 110' ' ' LEU . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 1.4 p30 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CD2' HG11 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' SER . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 96' ' ' TYR . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 HD23 ' A' ' 20' ' ' LEU . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 67' ' ' ILE . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 51' ' ' LEU . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 38' ' ' LEU . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 38' ' ' LEU . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.783 0.243 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.871 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' THR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' ASN . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 37' ' ' ARG . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.562 ' HD2' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.578 HD23 ' CG ' ' A' ' 63' ' ' ASP . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.768 ' SD ' HD11 ' A' ' 67' ' ' ILE . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' CG ' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.768 HD11 ' SD ' ' A' ' 62' ' ' MET . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.871 ' CE2' HD13 ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.509 ' OD1' HD23 ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 113' ' ' VAL . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 109' ' ' VAL . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.23 0.115 0 CA-C-O 120.786 0.244 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 17' ' ' GLN . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG13 HD22 ' A' ' 110' ' ' LEU . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' HG21 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 37' ' ' ARG . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HG3' HG22 ' A' ' 31' ' ' THR . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 63' ' ' ASP . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.634 ' CB ' HD13 ' A' ' 45' ' ' LEU . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 16.8 m120 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 109' ' ' VAL . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 105' ' ' LYS . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD22 HG13 ' A' ' 27' ' ' VAL . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.772 0.238 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 HD22 ' A' ' 110' ' ' LEU . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' THR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 29' ' ' ASN . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 38' ' ' LEU . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 38' ' ' LEU . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.805 HD23 ' HB3' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.764 ' HA ' HD23 ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' OH ' HD11 ' A' ' 45' ' ' LEU . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.805 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.866 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.609 ' CG ' HD22 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 HG13 ' A' ' 27' ' ' VAL . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.604 HG13 ' OE2' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.609 HD22 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.604 ' OE2' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.142 0 CA-C-O 120.804 0.252 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 43' ' ' LEU . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 31' ' ' THR . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 29' ' ' ASN . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 HG12 ' A' ' 103' ' ' ILE . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 54' ' ' TYR . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.813 ' HB2' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 67' ' ' ILE . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.61 HD11 ' SD ' ' A' ' 62' ' ' MET . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 68' ' ' ARG . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 83' ' ' VAL . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 83' ' ' VAL . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.53 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 113' ' ' VAL . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.761 0.234 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 117' ' ' THR . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.933 HD22 ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.506 HD13 HD12 ' A' ' 103' ' ' ILE . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 63' ' ' ASP . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 51' ' ' LEU . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' THR . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 58' ' ' ILE . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HG23 ' A' ' 57' ' ' THR . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.624 ' HB2' HD12 ' A' ' 45' ' ' LEU . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.735 HG21 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.454 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 57' ' ' THR . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.584 HD22 HD13 ' A' ' 103' ' ' ILE . 79.1 m-20 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 103' ' ' ILE . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.723 ' H ' HD23 ' A' ' 102' ' ' LEU . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.933 ' OD2' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 113' ' ' VAL . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.675 HG21 ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.735 ' NE ' HG21 ' A' ' 79' ' ' ILE . 4.6 mmm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.756 0.232 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 110' ' ' LEU . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 63' ' ' ASP . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 51' ' ' LEU . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 45' ' ' LEU . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 85' ' ' ASP . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.673 ' HB3' HD11 ' A' ' 67' ' ' ILE . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' VAL . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.774 ' ND2' HD13 ' A' ' 103' ' ' ILE . 27.2 m-20 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.774 HD13 ' ND2' ' A' ' 97' ' ' ASN . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.542 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' A' ' 108' ' ' LEU . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 105' ' ' LYS . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 27' ' ' VAL . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.689 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.766 0.236 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' A' ' 79' ' ' ILE . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD1' HG23 ' A' ' 41' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 46' ' ' PRO . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 45' ' ' LEU . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 53' ' ' ASP . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.681 HD13 ' CE1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 19' ' ' LYS . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.681 ' CE1' HD13 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' VAL . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.991 ' HB1' HD11 ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 103' ' ' ILE . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.991 HD11 ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.796 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.2 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.863 ' HG3' HD11 ' A' ' 79' ' ' ILE . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 79' ' ' ILE . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 43' ' ' LEU . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.654 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.922 ' CE1' HD11 ' A' ' 103' ' ' ILE . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' ALA . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 61' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.956 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.805 ' HB2' HD23 ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HB2' HD21 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.67 HD13 ' CE2' ' A' ' 86' ' ' PHE . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 7.5 m170 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 6.5 p30 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' A' ' 67' ' ' ILE . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.863 HD11 ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.67 ' CE2' HD13 ' A' ' 67' ' ' ILE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.922 HD11 ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.24 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' CG2' ' A' ' 117' ' ' THR . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 110' ' ' LEU . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD23 ' CB ' ' A' ' 106' ' ' ASP . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.44 HD13 HD12 ' A' ' 103' ' ' ILE . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 40' ' ' ALA . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 54' ' ' TYR . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.448 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.878 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 45' ' ' LEU . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.655 ' HA ' HD13 ' A' ' 67' ' ' ILE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.714 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.885 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 87' ' ' VAL . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CZ ' ' SD ' ' A' ' 64' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.709 ' HD1' ' HB1' ' A' ' 107' ' ' ALA . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 58' ' ' ILE . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 104' ' ' TYR . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 38' ' ' LEU . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.709 ' HB1' ' HD1' ' A' ' 90' ' ' PHE . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 27' ' ' VAL . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 23' ' ' VAL . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.771 0.238 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 79' ' ' ILE . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' ASN . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 54' ' ' TYR . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HD2' HD23 ' A' ' 51' ' ' LEU . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 71' ' ' MET . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 m120 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 20' ' ' LEU . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ASP . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 95' ' ' THR . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 92' ' ' ASN . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 107' ' ' ALA . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 83' ' ' VAL . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 117' ' ' THR . 29.8 mmm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.773 0.239 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 110' ' ' LEU . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 38' ' ' LEU . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CD2' HG23 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' HA ' HD12 ' A' ' 56' ' ' LEU . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' ASP . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 58' ' ' ILE . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 57' ' ' THR . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 67' ' ' ILE . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB3' HD21 ' A' ' 45' ' ' LEU . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.711 HD11 ' SD ' ' A' ' 62' ' ' MET . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 20' ' ' LEU . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 67' ' ' ILE . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 41' ' ' ILE . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.602 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 105' ' ' LYS . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.535 HD22 HG13 ' A' ' 27' ' ' VAL . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.763 0.235 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 79' ' ' ILE . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG13 HD22 ' A' ' 110' ' ' LEU . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 106' ' ' ASP . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 40' ' ' ALA . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 63' ' ' ASP . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.618 HG22 HD12 ' A' ' 58' ' ' ILE . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.618 HD12 HG22 ' A' ' 57' ' ' THR . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 67' ' ' ILE . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.679 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 82' ' ' MET . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 20' ' ' LEU . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.708 ' HG3' HG23 ' A' ' 67' ' ' ILE . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.662 ' HE1' HG21 ' A' ' 67' ' ' ILE . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.561 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 58' ' ' ILE . 40.9 t-20 -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' A' ' 103' ' ' ILE . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.649 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 113' ' ' VAL . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 27' ' ' VAL . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 115' ' ' LEU . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 30' ' ' TYR . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' HG22 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 112' ' ' LYS . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.798 0.249 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 110' ' ' LEU . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 50' ' ' GLU . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 53' ' ' ASP . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 58' ' ' ILE . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 57' ' ' THR . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 67' ' ' ILE . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 64' ' ' MET . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 95' ' ' THR . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' ASN . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.956 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.711 ' CE1' HD11 ' A' ' 108' ' ' LEU . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 27' ' ' VAL . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 83' ' ' VAL . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH2' HG21 ' A' ' 83' ' ' VAL . 1.5 tpp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -167.14 155.91 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -147.57 173.04 13.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.89 167.24 33.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -154.04 170.5 20.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 p -162.32 149.91 14.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.53 46.1 0.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -107.46 102.61 11.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -135.01 22.2 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.41 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 2.7 m -151.13 172.88 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -69.08 97.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -134.63 155.51 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' MET . 5.8 ptp -79.53 115.3 19.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.917 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -135.87 151.16 73.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.58 0.705 . . . . 0.0 111.113 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -18.92 36.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.4 ptm -71.74 -10.32 59.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.76 -13.91 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' CG ' ' N ' ' A' ' 19' ' ' LYS . 7.4 pt20 -77.16 -42.39 37.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -63.58 -59.64 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' LYS . 15.5 mt -35.19 -34.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' LYS . 23.7 t-20 -83.84 -55.88 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -46.19 -54.16 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.3 t -56.47 -47.19 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 86.7 t80 -55.46 -53.91 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.49 -45.96 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 110' ' ' LEU . 77.6 t -68.91 -38.66 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 24' ' ' TYR . 11.9 mtpp -63.96 -52.85 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -61.02 -44.21 97.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -37.87 133.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -129.18 173.08 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -73.93 -176.42 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -57.49 -22.64 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -105.13 -67.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.51 47.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -112.5 114.57 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.731 0.301 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -60.47 120.66 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 110' ' ' LEU . 5.5 mp -78.36 -32.39 48.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -77.99 -15.71 58.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -54.95 -45.44 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 tt -79.41 -3.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.855 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 50.9 m-85 -117.68 7.62 12.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 13.6 mt -80.2 -57.72 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -119.02 137.27 53.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 63' ' ' ASP . 64.0 mt -113.15 149.89 42.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.28 17.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 t -63.55 177.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -62.67 -48.46 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.6 m -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.56 -74.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.84 80.73 5.37 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.646 0.736 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -44.63 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.663 ' HA ' HD12 ' A' ' 56' ' ' LEU . 63.0 m-20 -47.13 -24.73 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -61.79 -60.02 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -50.29 -41.05 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 53' ' ' ASP . 57.3 mt -56.88 -32.65 66.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -84.61 -62.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HB2' ' A' ' 96' ' ' TYR . 19.4 mm -87.58 104.68 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -27.98 61.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -117.82 72.35 8.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 0.0 110.914 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 127.02 14.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.9 ttm -124.72 128.85 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.528 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -118.7 156.81 28.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.6 mmm -56.62 -33.09 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -60.23 -42.4 95.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -42.52 -58.67 2.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.3 mp -62.78 -60.61 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 10.9 ttp180 -42.77 -65.01 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 68' ' ' ARG . 45.1 t -36.6 -67.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 71' ' ' MET . 30.8 m170 -53.93 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' ASN . 47.0 ttp -36.1 -62.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -41.2 -40.4 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.23 33.67 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' MET . 30.2 t-20 36.5 49.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -87.95 -49.48 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 82' ' ' MET . 29.5 m-85 -54.71 173.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -117.16 -60.98 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -128.33 167.87 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mm -59.44 -39.93 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -25.83 65.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.3 t -72.12 -32.89 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 6.9 ttp -80.53 -39.56 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG13 HD21 ' A' ' 114' ' ' LEU . 68.9 t -60.89 -54.44 35.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -43.12 -27.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -79.61 -58.6 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -42.68 -41.65 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.6 t -47.41 -53.54 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.5 ttp -56.93 -45.48 82.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 21.8 ttp -44.62 -41.68 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.23 -39.77 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -45.77 -62.62 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -57.97 -39.83 79.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.47 -41.13 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.3 t -51.92 -37.11 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.6 m -89.86 -55.9 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.761 ' HB2' HD11 ' A' ' 58' ' ' ILE . 40.1 t80 -45.81 -44.24 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.56 155.62 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -71.62 152.14 93.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.69 2.51 3.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -133.85 42.52 2.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -114.27 -179.57 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.3 tt -84.31 -33.05 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.855 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 10.6 tt -74.88 -26.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 37.9 t80 -62.87 -70.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -56.19 -37.8 70.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.42 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.94 -55.18 21.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -43.44 -46.83 6.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.795 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.3 t -57.78 -54.22 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 38' ' ' LEU . 93.5 mt -52.29 -26.09 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.08 -53.49 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -59.67 -31.54 69.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 109' ' ' VAL . 47.4 t -68.36 -48.49 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 83' ' ' VAL . 11.7 tp -65.54 -31.12 72.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.4 mt -70.06 -14.83 62.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -93.12 -43.63 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 118' ' ' ARG . 40.4 p -44.12 -55.93 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' THR . 10.7 mmm-85 -34.53 129.2 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -113.92 137.79 51.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -90.63 166.82 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -152.02 130.21 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.01 57.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -52.94 150.37 5.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -119.6 111.83 18.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.04 86.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -154.04 138.99 17.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.872 0.367 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -101.52 120.32 40.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -138.35 179.91 6.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -77.05 -46.44 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -68.47 169.57 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' TYR . 19.5 mmt -34.52 133.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.1 p -115.48 150.13 44.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.52 12.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.83 -41.42 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -40.75 78.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 18.4 pt20 -70.25 -42.29 72.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 22' ' ' GLU . 33.7 tttp -53.72 -55.39 26.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 76' ' ' TYR . 41.4 mt -43.91 -22.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 19' ' ' LYS . 11.9 t-20 -91.86 -31.27 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' LYS . 6.2 pt-20 -76.25 -41.79 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 55.4 t -65.27 -35.28 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.0 t80 -71.83 -50.4 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.93 -14.46 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.25 -46.66 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.6 t -69.32 -25.85 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -81.01 -42.76 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -82.37 -2.79 54.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.17 139.76 58.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -138.0 167.38 21.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -176.73 5.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -62.9 -12.17 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -98.28 -44.01 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.28 37.0 0.77 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 36' ' ' ARG . 18.6 ttm105 -110.64 118.87 37.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -64.63 124.35 21.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.956 ' HB2' HD21 ' A' ' 110' ' ' LEU . 4.5 mp -83.49 -35.24 25.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -70.54 -8.72 53.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.84 80.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 tt -80.38 8.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.34 14.66 5.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 43' ' ' LEU . 11.3 mt -57.74 -51.35 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.24 173.87 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.8 mt -112.72 154.66 44.71 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 135.7 31.13 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.739 2.292 . . . . 0.0 112.305 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -54.81 158.23 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 48' ' ' ARG . 2.8 tmt_? -50.09 -34.12 20.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -64.63 -40.02 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.78 -68.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 51' ' ' LEU . 9.5 tp -118.1 80.81 15.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -15.28 37.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.332 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.727 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -74.88 -46.34 36.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' HG13 ' A' ' 58' ' ' ILE . 14.8 t80 -48.35 -21.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -89.53 -29.67 18.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.965 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -75.54 -40.45 56.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 58' ' ' ILE . 12.6 t -78.09 -46.4 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 54' ' ' TYR . 36.3 mm -76.66 140.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 -44.01 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.81 75.61 61.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.903 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.34 42.62 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.2 tpp -139.35 125.14 19.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -119.1 148.15 43.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' GLU . 5.9 mmm -41.42 -58.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' MET . 81.7 mm-40 -35.95 -59.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' GLU . 21.0 tttt -38.23 -62.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.5 mt -47.6 -58.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' MET . 22.5 ttt180 -46.04 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 68' ' ' ARG . 15.1 m -34.6 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -65.66 -48.36 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.553 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 25.5 mtm -49.12 -64.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.1 mmt -52.81 -16.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -102.28 22.38 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' ALA . 18.7 t30 34.65 47.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -94.85 -20.11 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -70.08 166.99 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -124.68 -25.59 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -168.02 172.65 8.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.554 ' O ' HG23 ' A' ' 83' ' ' VAL . 13.0 mm -52.74 -25.53 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -48.05 -49.89 29.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.04 -58.24 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.8 t -40.54 -45.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.94 -53.64 55.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 86' ' ' PHE . 36.9 m-20 -61.01 -62.64 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' MET . 13.0 m-85 -36.13 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PHE . 19.7 t -34.28 -58.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.0 mtp -47.2 -41.83 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 86' ' ' PHE . 44.3 ttp -58.86 -44.13 90.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -74.56 -30.62 61.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -70.71 -66.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -46.58 -37.34 7.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.57 -35.96 71.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 -35.75 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.4 m -70.77 -43.29 69.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB2' HD11 ' A' ' 58' ' ' ILE . 48.0 t80 -66.7 -62.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.02 162.62 14.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -76.07 151.97 84.14 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.16 3.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -100.34 -33.23 10.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -50.77 173.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.3 mt -81.37 -43.65 18.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 tt -47.0 -36.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -66.49 -59.05 4.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -46.22 -39.52 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.9 -49.89 73.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.46 -39.09 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.97 -56.66 9.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 113' ' ' VAL . 58.4 t -49.53 -41.66 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.956 HD21 ' HB2' ' A' ' 38' ' ' LEU . 82.2 mt -65.99 -54.35 27.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 110' ' ' LEU . 8.8 t-160 -37.3 -49.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -61.08 -40.16 92.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 44.3 t -57.63 -52.64 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 83' ' ' VAL . 6.8 tp -55.32 -29.63 58.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.87 -65.95 0.95 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -45.15 -37.19 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 57.8 m -59.04 -49.39 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' CD ' HG21 ' A' ' 79' ' ' ILE . 15.9 mtp180 -43.21 -56.16 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -135.66 165.18 26.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -102.12 -46.48 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 -107.33 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.442 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m 50.26 42.29 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -63.91 143.77 57.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.9 121.54 6.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -60.97 -58.3 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.74 123.02 45.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -99.57 121.96 41.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -122.08 -57.58 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -61.21 141.92 57.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptm -39.25 142.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -134.69 144.07 49.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.73 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -6.7 19.22 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.9 mtp -81.46 -48.94 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -47.26 -42.79 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -69.39 -49.9 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.75 -26.46 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.754 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.8 mt -74.23 -54.75 7.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -59.75 -27.02 66.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -74.86 -39.87 61.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.4 t -66.19 -56.13 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.5 t80 -42.95 -55.2 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.31 -29.81 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -62.59 -19.8 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -91.63 -37.81 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 43' ' ' LEU . 55.9 tttm -67.79 -48.92 64.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' TYR . 86.4 m-20 -61.75 -36.7 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HD2' HD13 ' A' ' 38' ' ' LEU . 20.8 t80 -37.74 138.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.03 174.9 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.76 -175.02 5.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -59.42 -19.49 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -107.04 -70.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.53 37.61 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -72.74 121.99 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' CG ' ' A' ' 106' ' ' ASP . 5.0 mp -83.47 -23.56 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.1 p -72.97 -20.51 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.69 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 tp -69.71 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 103' ' ' ILE . 39.3 m-85 -132.95 42.89 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 HD21 ' HE2' ' A' ' 28' ' ' LYS . 12.7 mt -92.17 -71.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -114.34 117.78 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD13 ' HB2' ' A' ' 63' ' ' ASP . 1.1 pt? -78.99 156.02 77.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.73 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.335 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.6 p -74.75 171.64 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -48.37 -37.58 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -62.29 -59.14 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.11 -75.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 54' ' ' TYR . 4.5 tp -126.13 92.24 46.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.453 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -54.95 -20.49 9.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.634 ' HB2' HD23 ' A' ' 51' ' ' LEU . 6.9 t80 -60.13 -55.81 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -53.1 -46.52 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 53' ' ' ASP . 69.4 mt -53.63 -26.63 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.2 m -79.84 -67.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.4 mm -82.95 122.7 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -70.37 -36.01 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' CD ' ' SD ' ' A' ' 88' ' ' MET . 10.0 ptpt -125.66 81.0 65.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 136.42 33.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.3 tpp -130.67 119.05 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HB2' HD13 ' A' ' 45' ' ' LEU . 30.3 t70 -118.2 151.31 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 25.0 mtp -50.98 -36.98 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -65.14 -44.57 88.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -56.14 -42.79 77.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mt -62.26 -53.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -52.69 -48.81 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -42.08 -68.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 31.4 m170 -62.57 -49.9 73.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -43.56 -28.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.0 mmt -87.9 -30.16 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -86.08 18.8 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.3 m120 38.17 53.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 44.2 mttp -95.27 -15.99 22.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.754 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.8 p90 -73.97 169.06 18.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -121.64 -24.81 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -168.89 163.96 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.509 HD11 ' HD2' ' A' ' 19' ' ' LYS . 20.9 mm -41.58 -55.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' ILE . 2.9 m-20 -36.26 -37.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.1 m -51.72 -58.84 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.27 -46.0 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.685 ' O ' HG23 ' A' ' 87' ' ' VAL . 58.7 t -49.33 -53.27 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -36.94 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -67.12 -61.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -51.26 -33.41 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 83' ' ' VAL . 53.4 t -62.84 -38.21 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.443 ' SD ' ' CD ' ' A' ' 60' ' ' LYS . 7.7 mtm -65.68 -57.54 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 42.0 ttp -40.3 -56.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -54.82 -51.85 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 95' ' ' THR . 4.8 m-20 -58.3 -27.34 63.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -73.15 -13.93 61.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.64 -39.97 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.89 -42.44 85.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 91' ' ' ASN . 18.4 p -75.34 -45.2 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.4 -60.15 3.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -104.11 155.14 18.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.95 152.01 94.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.514 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.2 Cg_endo -69.84 2.64 3.39 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.59 -47.32 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 m -45.58 168.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 102' ' ' LEU . 2.5 pp -77.77 -40.09 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 42' ' ' PHE . 5.6 tt -50.38 -25.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.514 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 46.4 t80 -70.87 -66.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -54.98 -20.38 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.593 ' CG ' HD23 ' A' ' 38' ' ' LEU . 5.6 t70 -80.49 -33.08 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.16 -52.24 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.33 -56.89 5.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 113' ' ' VAL . 91.6 t -44.55 -43.64 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 111' ' ' HIS . 84.6 mt -64.38 -52.75 56.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -37.49 -52.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -61.01 -49.2 78.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' VAL . 96.7 t -48.1 -59.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 83' ' ' VAL . 13.3 tp -46.07 -32.76 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.72 -25.94 26.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 113' ' ' VAL . 14.9 mm-40 -76.87 -54.18 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 t -39.51 -43.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -46.85 121.89 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -102.47 138.1 39.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p 38.72 42.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -77.99 170.48 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.78 150.88 7.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -157.15 173.07 17.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -145.13 142.12 29.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.38 -140.68 10.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.544 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -119.05 175.33 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -100.02 38.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -136.27 127.73 28.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -105.01 98.1 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -131.13 115.55 16.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.6 mmm 43.29 31.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -72.28 152.24 92.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.22 35.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.8 mmm -73.56 -40.34 64.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -56.12 -48.91 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.9 -38.35 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 17.3 tptt -54.15 -15.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 71' ' ' MET . 14.6 mt -84.49 -46.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.39 -33.8 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 11.2 pt-20 -57.37 -41.12 79.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG13 HG21 ' A' ' 117' ' ' THR . 36.0 t -78.7 -48.37 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -54.11 -31.84 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -74.31 -51.26 15.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.55 -41.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 110' ' ' LEU . 71.6 t -72.64 -41.67 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -63.63 -35.32 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' TYR . 52.8 m-20 -83.46 -31.49 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 113' ' ' VAL . 83.9 t80 -34.47 132.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.3 -175.66 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -104.07 -175.05 2.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -54.61 -36.34 64.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -98.21 -33.78 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.41 42.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -99.86 112.91 25.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 15.2 ttt180 -56.51 129.75 42.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.45 -46.76 14.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.2 t -68.52 -7.54 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 37' ' ' ARG . . . -49.63 -50.43 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 tt -83.7 7.42 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 103' ' ' ILE . 22.7 m-85 -132.67 31.35 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.39 -73.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -115.82 118.74 33.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 63' ' ' ASP . 1.2 pt? -74.74 155.37 87.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 123.28 9.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.1 p -66.03 -174.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 49' ' ' SER . 7.0 ppt_? -79.2 -36.88 39.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 67.0 p -61.4 -52.51 64.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -71.33 -49.11 45.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 54' ' ' TYR . 8.9 tp -133.88 82.38 49.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.26 . . . . 0.0 112.298 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.533 ' HA ' HD23 ' A' ' 56' ' ' LEU . 2.4 p30 -49.77 -42.69 47.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.4 t80 -44.23 -30.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -77.86 -43.09 31.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.622 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.78 -36.13 76.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.954 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -72.54 -64.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.0 mm -80.29 120.2 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.34 -33.13 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' HE2' ' A' ' 88' ' ' MET . 11.2 tttt -119.26 75.64 16.11 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.62 38.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 tpp -143.2 123.92 14.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.502 ' HB3' HD13 ' A' ' 45' ' ' LEU . 5.1 p-10 -119.27 156.03 30.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 mmm -51.6 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -40.68 -37.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -60.42 -45.76 92.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.527 HD11 ' OD1' ' A' ' 85' ' ' ASP . 17.4 mt -65.03 -44.27 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -47.76 -65.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -53.0 -38.45 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.488 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 2.2 ttm -52.77 -64.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.2 mmm -64.36 -10.79 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.33 13.45 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 40.97 33.04 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -85.28 -46.67 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 81' ' ' SER . 35.9 m-85 -58.45 176.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -110.01 -71.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.99 177.14 6.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 82' ' ' MET . 45.0 mm -47.34 -55.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -41.69 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.427 ' HG ' ' HD1' ' A' ' 76' ' ' TYR . 2.7 t -54.83 -43.1 72.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 79' ' ' ILE . 33.3 ttp -73.16 -36.14 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 114' ' ' LEU . 48.2 t -64.94 -58.77 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -40.98 -27.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.527 ' OD1' HD11 ' A' ' 67' ' ' ILE . 40.5 t0 -81.05 -52.97 6.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.9 m-85 -52.49 -31.92 37.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.4 t -70.22 -59.38 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.476 ' HE2' ' HD3' ' A' ' 60' ' ' LYS . 2.4 ppp? -63.89 -13.89 48.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 12.2 ttp -78.48 -35.6 46.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.4 m-85 -73.08 -47.26 46.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -46.19 -38.24 8.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 37.0 t-20 -47.33 -48.06 25.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.32 -46.44 89.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -51.83 -41.11 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 p -75.03 -60.43 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -52.01 -59.96 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -90.89 163.51 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.48 152.16 74.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.77 -7.18 20.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -129.9 72.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.1 m -136.98 179.49 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -71.37 -27.91 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.0 tt -82.1 -33.65 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 48.7 t80 -52.85 -70.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 108' ' ' LEU . 4.7 ptmm? -45.46 -54.43 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.06 -50.06 2.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -56.45 -39.15 72.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.062 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 105' ' ' LYS . 5.5 mp -70.65 -50.13 40.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.1 t -50.6 -40.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 27' ' ' VAL . 31.7 mt -63.32 -50.77 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 110' ' ' LEU . 7.5 t-160 -35.25 -50.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -60.41 -53.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 30' ' ' TYR . 81.4 t -46.33 -54.92 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 83' ' ' VAL . 17.5 tp -50.28 -33.0 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.75 -28.34 28.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.38 -53.64 55.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.447 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 t -54.92 -43.06 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 118' ' ' ARG . 4.8 mmm180 -38.46 122.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -107.89 143.58 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 p -85.23 151.24 24.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -136.73 128.2 28.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.8 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.01 -68.92 0.22 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -57.36 -44.06 84.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 p -77.38 157.61 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.65 -39.6 0.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -48.53 145.51 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -102.26 172.53 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 p 34.3 44.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' SER . 24.0 mttp -36.52 154.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' CG ' ' N ' ' A' ' 13' ' ' MET . 2.9 p90 -125.68 -56.15 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 3.5 tpt -120.57 68.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.4 p -122.97 153.99 64.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.577 0.704 . . . . 0.0 111.161 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -0.64 7.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.2 mtp -97.7 -37.87 9.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.17 -34.9 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -75.6 -41.61 53.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 22' ' ' GLU . 31.8 tttt -49.43 -59.12 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 76' ' ' TYR . 26.0 mt -36.04 -45.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -76.03 -37.05 58.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 19' ' ' LYS . 38.5 mt-10 -60.88 -42.43 97.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.657 HG22 ' HB ' ' A' ' 117' ' ' THR . 53.6 t -61.83 -52.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -50.62 -63.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.69 -37.06 5.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -55.23 -47.97 74.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.1 -44.33 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -53.03 -48.4 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' TYR . 18.5 m-20 -78.46 -34.62 47.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CE1' HG21 ' A' ' 113' ' ' VAL . 74.9 t80 -37.02 135.68 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.7 179.93 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.42 -175.82 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.37 -17.8 55.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -104.94 -67.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.35 35.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -98.36 110.84 23.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -64.25 119.13 9.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.604 ' HB2' HD21 ' A' ' 110' ' ' LEU . 6.0 mp -78.4 -54.68 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 p -47.23 -20.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.69 -46.85 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tt -82.92 2.1 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 38.0 m-85 -130.22 31.83 4.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -86.07 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -134.66 178.57 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 63' ' ' ASP . 3.8 mm? -111.65 151.84 43.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 144.44 54.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 p -53.73 164.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -64.44 -57.63 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.1 p -42.3 -43.39 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -68.31 -73.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -112.04 75.14 1.5 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -30.82 21.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' TYR . 3.4 p-10 -62.37 -42.78 99.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 58' ' ' ILE . 81.1 t80 -36.56 -61.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -54.81 -53.7 51.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.69 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.2 m -55.93 -67.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.774 HD11 ' HB2' ' A' ' 96' ' ' TYR . 44.1 mm -50.55 108.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -43.85 -40.64 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.05 129.96 4.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 158.75 55.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.495 ' CE ' ' HE1' ' A' ' 88' ' ' MET . 7.8 ttm -148.35 116.28 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' HB3' HD23 ' A' ' 45' ' ' LEU . 14.8 p-10 -117.45 174.31 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.1 mtp -79.11 -14.4 59.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ARG . 8.7 mt-10 -73.74 -57.15 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' ILE . 2.9 ptmt -40.17 -29.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.509 HG22 ' SD ' ' A' ' 71' ' ' MET . 11.6 mt -95.43 -33.55 4.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' GLU . 24.9 ttp180 -75.82 -57.56 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -55.38 -38.48 68.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' A' ' 75' ' ' LYS . 28.5 m170 -70.86 -47.27 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.575 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 7.1 mtp -46.25 -58.8 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mtt -65.11 -12.85 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.48 21.39 7.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 76' ' ' TYR . 18.0 p30 39.48 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 70' ' ' HIS . 24.7 mttp -81.36 -27.2 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.7 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.34 -179.83 2.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -130.43 -31.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -168.18 174.25 7.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.407 HD11 ' HG2' ' A' ' 19' ' ' LYS . 27.1 mm -48.21 -44.3 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -51.06 -29.41 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -55.21 -58.81 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.6 mtp -63.3 -42.35 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.5 t -55.99 -59.94 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.84 -21.11 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 88' ' ' MET . 28.1 m-20 -87.99 -68.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' CB ' HD22 ' A' ' 114' ' ' LEU . 11.5 m-85 -38.74 -49.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 t -49.81 -40.14 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.495 ' HE1' ' CE ' ' A' ' 62' ' ' MET . 40.5 ttp -67.12 -23.31 65.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 62' ' ' MET . 42.9 ttp -69.96 -64.88 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -49.55 -42.12 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -55.46 -46.58 76.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -62.4 -32.12 72.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.97 -63.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.4 p -56.02 -34.27 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.7 m -68.92 -56.5 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.774 ' HB2' HD11 ' A' ' 58' ' ' ILE . 78.9 t80 -56.77 -48.39 77.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -91.35 -176.92 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.45 151.93 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -127.57 38.75 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -99.53 157.55 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -60.64 -34.2 73.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 9.5 tt -76.76 -19.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 27.5 t80 -63.31 -44.74 94.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -64.01 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.534 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -38.64 -52.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 106' ' ' ASP . . . -44.03 -53.93 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -54.07 -52.39 61.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 62.1 t -41.75 -62.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' A' ' 38' ' ' LEU . 24.5 mt -51.54 -52.37 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 110' ' ' LEU . 5.4 t-160 -34.85 -61.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -48.02 -44.28 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 30' ' ' TYR . 56.3 t -56.71 -58.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 86' ' ' PHE . 59.8 tp -51.75 -38.04 53.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.422 ' O ' ' CZ ' ' A' ' 118' ' ' ARG . 83.7 mt -65.43 -30.92 71.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' THR . 56.4 mt-10 -76.9 -59.98 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.657 ' HB ' HG22 ' A' ' 23' ' ' VAL . 38.2 p -37.85 -32.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 115' ' ' LEU . 10.1 mtm105 -37.39 -50.19 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -150.35 157.46 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -64.24 90.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -64.99 82.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.44 140.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -174.77 170.16 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -144.49 172.77 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.72 175.23 34.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -50.59 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -41.35 149.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -91.6 -58.46 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -70.7 95.07 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 9.0 p90 -173.11 147.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -58.42 111.6 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.553 HG23 ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -121.4 145.84 43.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -33.15 17.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.364 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.2 mmm -68.84 -12.6 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' A' ' 14' ' ' THR . 24.1 tt0 -89.11 -38.05 14.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.44 -42.1 75.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' LEU . 16.6 mttp -52.1 -61.44 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 76' ' ' TYR . 14.5 mt -34.67 -54.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -60.37 -45.79 92.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 19' ' ' LYS . 20.4 mt-10 -59.3 -61.77 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.3 t -44.53 -40.68 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 27.1 t80 -62.13 -51.49 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LYS . 20.5 mt-10 -64.19 -54.91 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.97 -43.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.4 t -72.71 -39.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' GLU . 60.2 tttm -65.8 -53.51 39.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 31' ' ' THR . 3.9 t-20 -57.45 -37.71 73.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 29' ' ' ASN . 38.1 t80 -34.8 136.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 29' ' ' ASN . 14.7 p -140.76 -176.83 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -89.55 -177.93 5.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.2 mtt-85 -102.86 -62.44 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.84 37.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -110.31 113.92 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.533 ' N ' HG22 ' A' ' 31' ' ' THR . 26.7 ptt-85 -74.07 130.67 40.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD23 ' CG ' ' A' ' 106' ' ' ASP . 3.2 mp -75.55 -26.91 58.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -62.77 -9.2 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.68 80.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 tt -80.28 12.1 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 103' ' ' ILE . 25.6 m-85 -131.78 2.72 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HB3' ' CD ' ' A' ' 44' ' ' ARG . 12.7 mt -57.13 -68.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -123.3 133.34 54.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.45 150.66 47.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.08 17.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 p -65.68 179.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 t -52.3 -18.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -107.12 -59.35 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 tp -123.89 80.74 56.5 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -32.42 18.76 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t70 -57.06 -26.14 59.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 96' ' ' TYR . 3.4 t80 -64.66 -65.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -55.63 -17.56 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 53' ' ' ASP . 18.9 mt -75.09 -50.8 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -66.8 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.751 HD11 HG23 ' A' ' 95' ' ' THR . 1.1 mp -80.4 114.94 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -82.45 -32.07 29.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.98 71.43 2.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.532 0.682 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 138.74 38.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 43.4 tpp -124.07 120.64 32.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.63 156.8 28.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.454 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 25.4 mmm -52.63 -33.84 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.01 -46.67 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -54.88 -20.96 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.514 HD13 ' CD1' ' A' ' 86' ' ' PHE . 23.1 mt -93.2 -65.74 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 1.8 tmt_? -50.91 -46.18 60.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -55.42 -69.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -51.34 -39.25 56.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.4 ttp -52.56 -52.52 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.08 -6.99 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.47 8.71 35.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 46.11 47.43 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -99.98 2.88 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' CE2' HD13 ' A' ' 20' ' ' LEU . 5.0 p90 -89.02 -175.33 4.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 22.3 mp0 -130.07 -31.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 6.6 t70 -167.78 168.0 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -46.59 -52.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -51.1 -25.68 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -63.24 -36.68 84.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.44 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 12.8 tmm? -86.75 -33.84 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 87' ' ' VAL . 71.3 t -60.48 -52.25 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -48.24 -48.12 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.88 -67.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' CD1' HD13 ' A' ' 67' ' ' ILE . 13.1 m-85 -39.88 -53.61 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 83' ' ' VAL . 59.5 t -47.87 -44.95 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.5 ttp -64.87 -38.12 89.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 47.5 ttp -55.1 -22.89 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -85.09 -33.04 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' O ' HG22 ' A' ' 95' ' ' THR . 17.9 m-80 -64.15 -45.72 87.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -52.39 -25.28 9.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.78 28.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 p -83.21 -31.01 27.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.751 HG23 HD11 ' A' ' 58' ' ' ILE . 5.2 t -89.93 -24.49 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' TYR . 15.8 t80 -96.66 -60.52 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.95 144.51 25.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -70.31 151.6 95.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.74 -3.86 12.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.4 -40.29 36.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 m -52.88 170.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 102' ' ' LEU . 1.8 pp -81.6 -39.71 24.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.478 HD11 ' CE1' ' A' ' 42' ' ' PHE . 7.8 tt -51.56 -19.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 87.9 t80 -68.24 -53.25 26.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 109' ' ' VAL . 11.4 mtpt -55.15 -31.09 61.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.676 ' CG ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.71 -51.13 37.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -43.61 31.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.93 -53.45 46.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 105' ' ' LYS . 92.6 t -47.1 -58.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.12 -46.1 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -51.55 -52.45 46.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.6 -38.11 77.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 109' ' ' VAL . 61.8 t -59.26 -63.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' VAL . 28.1 tp -35.22 -58.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -49.4 -44.96 45.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' THR . 40.2 mt-10 -62.65 -59.66 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' GLU . 5.1 m -34.99 -58.73 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 118' ' ' ARG . 4.7 mmm180 -35.94 117.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -75.35 113.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p 44.11 42.19 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.26 156.44 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.14 -157.15 10.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -76.91 160.93 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -114.84 103.68 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.97 154.22 25.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -106.9 93.61 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 139.94 23.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -119.84 53.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 12' ' ' TYR . 7.7 mptt -77.14 -174.58 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.1 p90 -32.91 -46.68 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -155.73 124.62 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.8 p -149.49 155.6 39.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -0.59 7.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 39.2 mmm -95.04 -25.23 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -74.54 -38.07 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -68.5 -50.26 53.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.51 -44.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.685 HD23 HD13 ' A' ' 79' ' ' ILE . 13.3 mt -57.91 -61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.07 -33.0 56.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.9 -51.59 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.12 -32.23 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' CE1' ' SD ' ' A' ' 64' ' ' MET . 74.9 t80 -69.06 -39.55 79.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.66 -39.29 57.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.68 -39.4 24.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 HD22 ' A' ' 110' ' ' LEU . 90.1 t -79.36 -39.52 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.5 tttt -59.19 -58.22 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' TYR . 1.4 p30 -59.09 -41.5 88.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CD2' HG11 ' A' ' 113' ' ' VAL . 14.8 t80 -36.17 115.19 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.27 179.79 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.26 178.02 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -53.16 -16.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -105.65 -58.16 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.96 38.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -111.2 116.48 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 1.3 mpp_? -63.43 118.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.6 mp -69.52 -30.3 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 96.3 p -77.42 -12.05 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.08 81.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 tt -88.16 10.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 27.0 m-85 -133.27 9.63 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.06 -64.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 7.3 ttp-105 -110.69 161.26 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -107.85 155.34 40.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 120.1 6.94 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 m -59.71 169.4 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' SER . 29.8 ptt180 -64.01 -45.52 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 72.8 m -52.94 -54.29 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.7 mm-40 -61.96 -52.37 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' OH ' ' A' ' 96' ' ' TYR . 8.9 mp -130.98 82.48 63.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.338 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.06 -36.08 11.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.66 -43.1 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.15 -47.39 77.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.71 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.9 m -44.67 -52.7 7.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.9 mm -70.09 149.21 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -85.97 -51.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 17.5 pttm -143.11 104.95 5.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.6 Cg_endo -69.77 132.97 24.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.2 tpp -137.17 115.55 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 20.1 p-10 -119.06 156.87 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.404 ' SD ' ' CE1' ' A' ' 24' ' ' TYR . 2.1 mmm -49.75 -29.82 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.77 -35.49 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -61.89 -61.99 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 67' ' ' ILE . 4.1 mp -46.06 -53.64 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -55.1 -31.63 61.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -55.55 -65.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -69.86 -49.49 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 35.1 ttp -47.21 -22.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.9 mmt -94.57 -34.65 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -89.89 28.46 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' ALA . 6.9 p30 34.87 45.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -99.87 -2.71 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.86 -177.6 5.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' C ' ' CG ' ' A' ' 78' ' ' ASP . 60.8 mt-30 -131.83 -36.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' CG ' ' C ' ' A' ' 77' ' ' GLN . 0.3 OUTLIER -161.19 -179.99 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 HD23 ' A' ' 20' ' ' LEU . 22.3 mm -57.2 -33.53 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' SER . 0.5 OUTLIER -51.01 -49.5 60.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ASP . 5.1 m -36.38 -54.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtp -61.66 -49.8 75.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.1 t -53.04 -65.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -45.32 -22.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 67' ' ' ILE . 4.8 m-20 -89.69 -41.84 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -64.59 -42.25 95.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -53.18 -36.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.51 -45.6 82.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.2 mtp -47.52 -58.55 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -64.14 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -44.7 -39.08 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -66.97 -44.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.8 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.33 -46.16 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' TYR . 90.6 m -77.17 -65.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.551 ' OH ' HD23 ' A' ' 51' ' ' LEU . 18.4 t80 -36.93 -63.37 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -91.61 158.93 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -68.4 151.95 96.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.682 0.754 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.5 Cg_endo -69.7 -2.04 9.46 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -104.92 19.7 20.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.5 t -99.91 150.69 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.99 -54.02 51.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 5.4 tt -46.1 -33.35 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 4.2 t80 -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.78 -24.65 65.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.572 ' HB3' HD23 ' A' ' 38' ' ' LEU . 2.1 m-20 -90.23 -38.68 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.53 -40.37 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.39 -52.18 49.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.7 t -40.88 -61.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 38' ' ' LEU . 10.4 mt -49.68 -52.28 32.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' LEU . 12.0 t-160 -36.08 -53.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -63.79 -49.1 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 30' ' ' TYR . 57.5 t -50.78 -34.11 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.17 -25.27 61.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.84 -11.11 34.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -82.74 -42.27 18.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t -72.19 -34.4 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -40.25 -44.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 119' ' ' ARG . 4.9 tmm_? -95.25 123.04 38.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -157.97 164.11 37.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -111.24 178.61 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.25 -179.31 31.18 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 t -154.05 162.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -161.1 120.74 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 59.95 0.67 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -58.82 -45.6 89.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -150.98 151.09 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.1 p -39.58 -59.16 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -52.53 114.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -141.23 114.77 8.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.8 mtp -91.16 111.56 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -138.74 144.41 41.72 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.719 . . . . 0.0 111.139 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -31.89 19.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.7 mtp -64.01 -13.45 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HB2' HG23 ' A' ' 14' ' ' THR . 39.4 tt0 -71.91 -46.0 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -68.23 -29.88 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.38 -22.27 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.871 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.3 mt -81.58 -31.1 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -91.08 -11.38 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -88.77 -39.15 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.4 t -76.28 -25.55 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.39 -53.34 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -61.6 -39.26 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.22 -42.78 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -77.95 -27.48 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -68.94 -41.08 78.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' THR . 3.1 p30 -83.61 -28.3 28.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' ASN . 70.7 t80 -36.16 113.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 37' ' ' ARG . 76.0 p -103.6 178.03 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -97.91 -174.7 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -66.32 -4.51 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -108.57 -30.91 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.03 16.28 5.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HD2' ' N ' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -101.13 126.33 47.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.87 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.562 ' HD2' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER -65.7 135.88 55.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' OD1' ' A' ' 106' ' ' ASP . 6.4 mp -86.25 -35.09 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 p -57.93 -12.35 3.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.96 -54.64 14.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -76.76 5.57 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -133.98 34.32 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -87.48 -58.84 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.25 139.5 30.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD23 ' CG ' ' A' ' 63' ' ' ASP . 3.1 mm? -71.09 157.89 89.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 164.48 34.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 8.2 t -73.29 134.8 44.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' SER . 13.4 ptm180 -37.68 -47.56 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.4 m -62.28 -45.59 92.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.93 -67.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -124.93 77.88 66.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -35.75 12.08 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.299 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 56' ' ' LEU . 9.9 m-20 -46.27 -50.42 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 61' ' ' PRO . 26.9 t80 -39.75 -43.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -66.75 -39.73 88.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ASP . 83.9 mt -67.94 -44.35 77.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.7 m -72.23 -35.08 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mm -105.9 109.84 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 14.2 ttmm -127.42 90.02 49.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 54.5 Cg_endo -69.71 134.64 28.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.384 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.768 ' SD ' HD11 ' A' ' 67' ' ' ILE . 19.7 tpp -108.98 112.34 24.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' CG ' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -116.49 155.85 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 mtp -73.73 -8.77 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -88.41 -27.49 21.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 9.8 ptmt -74.53 -25.08 59.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.768 HD11 ' SD ' ' A' ' 62' ' ' MET . 11.3 mt -92.03 -62.66 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HA ' ' HE2' ' A' ' 71' ' ' MET . 22.3 ttp180 -41.12 -60.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 t -51.05 -46.83 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' CD2' ' HD3' ' A' ' 75' ' ' LYS . 11.7 m170 -59.94 -42.14 93.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 57.4 mtm -50.76 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 mmm -64.0 -6.55 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -99.69 6.83 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 48.39 44.57 20.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 3.8 mtpm? -92.4 -38.63 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.871 ' CE2' HD13 ' A' ' 20' ' ' LEU . 2.0 p90 -58.76 171.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -119.7 -22.91 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -174.99 163.25 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.4 mm -41.25 -57.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -43.25 -34.66 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 t -55.77 -45.5 78.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.5 ttp -67.38 -47.4 70.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -52.36 -58.85 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.25 -51.97 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' PHE . 88.3 m-20 -53.55 -66.96 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.9 m-85 -35.85 -54.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 t -40.99 -56.24 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 38.7 mtp -45.62 -36.18 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 10.7 ttp -57.4 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 8.2 m-85 -56.58 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -42.85 -56.14 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -56.37 -42.8 78.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.18 89.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.0 p -86.71 36.92 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 86.8 m -95.9 -62.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -110.71 25.01 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -114.7 141.91 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.55 148.46 98.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.1 Cg_endo -69.73 -14.43 36.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -100.57 38.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.5 t -121.3 148.22 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.26 -51.06 70.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.27 -20.99 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 17.7 t80 -79.55 -42.78 24.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -74.52 -38.82 62.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.509 ' OD1' HD23 ' A' ' 38' ' ' LEU . 64.6 m-20 -59.06 -47.68 84.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.78 61.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.64 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 113' ' ' VAL . 80.4 t -44.16 -52.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.5 mt -56.46 -57.78 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -39.22 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -57.91 -44.14 86.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 109' ' ' VAL . 87.3 t -54.62 -54.11 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 21.4 tp -47.72 -36.01 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.5 -64.94 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 6.4 pt-20 -45.84 -49.56 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.7 m -38.57 -51.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -45.04 -56.45 4.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 52.64 28.17 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -150.98 164.79 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.816 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -166.51 166.21 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.75 46.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -90.52 158.18 17.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -85.77 -51.7 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.98 -79.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -76.53 114.04 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -132.21 175.53 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.6 p -93.97 173.82 7.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -82.1 122.68 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -127.95 144.56 51.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.0 tpp -82.5 109.2 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -96.57 147.67 33.3 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.509 0.671 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -0.85 7.52 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -53.62 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.69 ' HA ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -50.79 -40.47 55.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -54.81 -64.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 20' ' ' LEU . 22.7 mmtm -39.96 -58.16 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 17' ' ' GLN . 11.0 mt -36.41 -47.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.1 -44.27 72.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.97 -63.54 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.8 t -46.34 -39.09 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 20.7 t80 -64.11 -66.44 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -48.62 -43.03 35.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.07 -52.84 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG13 HD22 ' A' ' 110' ' ' LEU . 40.4 t -81.55 -44.12 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -56.91 -20.84 25.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.5 t30 -109.21 -27.66 9.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' HG21 ' A' ' 113' ' ' VAL . 8.3 t80 -35.85 136.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.492 HG22 ' HG3' ' A' ' 37' ' ' ARG . 5.3 p -136.61 165.82 24.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.35 -175.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -70.71 -5.72 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.24 -50.76 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.04 35.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -101.24 116.89 33.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HG3' HG22 ' A' ' 31' ' ' THR . 8.5 mtp180 -77.67 117.58 19.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mp -79.19 -29.68 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -64.77 -11.75 40.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.1 -46.75 45.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 103' ' ' ILE . 6.2 tt -77.78 -10.05 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 22.9 m-85 -118.25 25.7 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.0 mt -86.69 -68.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -123.59 149.37 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 63' ' ' ASP . 10.1 mp -102.09 157.59 33.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.39 60.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.7 m -65.25 174.15 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -71.86 -52.84 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -61.68 -30.49 70.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -73.18 -72.45 0.25 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 tp -123.34 80.73 53.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.57 31.87 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.16 -53.73 53.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -41.06 -37.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -77.03 -52.75 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.07 -52.94 47.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.955 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.1 m -60.81 -69.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.1 mm -62.27 110.37 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -63.82 -34.0 76.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -131.91 80.94 64.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.91 12.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.487 ' SD ' ' CB ' ' A' ' 85' ' ' ASP . 19.0 ttm -129.25 130.73 46.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.634 ' CB ' HD13 ' A' ' 45' ' ' LEU . 3.0 p30 -118.38 160.91 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.3 mmm -61.71 -44.21 97.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -51.96 -26.18 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 71.4 tttt -62.02 -59.84 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.4 mp -51.87 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 14.1 ttm-85 -36.22 -52.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 t -47.59 -63.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -57.04 -49.7 75.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 53.8 ttp -46.18 -51.75 13.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.7 mmt -59.17 -28.46 66.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -87.96 19.35 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' ALA . 16.8 m120 37.07 38.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -82.61 -41.35 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -64.04 -178.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -116.31 -64.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 5.4 t70 -136.42 167.04 22.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' N ' ' CG ' ' A' ' 78' ' ' ASP . 5.1 mm -44.38 -44.51 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -40.64 -40.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.6 p -56.77 -50.38 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.436 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 13.6 mtp -57.22 -60.77 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.74 ' O ' HG23 ' A' ' 87' ' ' VAL . 40.3 t -34.15 -48.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -48.52 -65.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.487 ' CB ' ' SD ' ' A' ' 62' ' ' MET . 0.1 OUTLIER -53.05 -60.31 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 13.1 m-85 -40.49 -45.94 2.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 83' ' ' VAL . 79.3 t -57.58 -38.81 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.6 mtm -66.58 -62.39 1.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 9.5 ptm -46.51 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 19.9 m-85 -72.68 -46.13 55.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -64.71 -40.6 95.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.64 -42.75 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.54 72.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.4 m -47.73 -38.58 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -83.66 -61.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -38.02 -58.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -98.23 165.98 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.65 152.16 93.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.81 24.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -112.5 32.73 5.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.0 m -91.33 178.42 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -87.19 -21.33 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -83.24 -23.36 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -61.42 -57.7 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.706 ' O ' HG23 ' A' ' 109' ' ' VAL . 5.4 mtpm? -51.95 -35.11 44.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -71.63 -28.4 63.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.08 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.42 -44.86 65.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 105' ' ' LYS . 58.8 t -45.85 -69.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD22 HG13 ' A' ' 27' ' ' VAL . 73.4 mt -43.9 -53.48 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' LEU . 17.5 t-160 -35.81 -58.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -60.69 -40.89 93.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG21 ' CE2' ' A' ' 30' ' ' TYR . 46.6 t -58.05 -26.46 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.82 -20.99 22.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.49 -17.95 27.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.98 -30.1 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.9 t -75.25 -34.29 61.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -42.9 -44.95 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -99.97 157.84 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.51 167.63 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 m -88.74 -49.33 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 131.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -144.15 149.52 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -144.49 138.31 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.58 92.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.53 149.2 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -107.07 81.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.8 t -64.77 -56.6 12.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 52.59 52.23 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -120.36 150.19 41.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 30.6 mmt -58.14 114.23 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.4 p -144.94 150.16 45.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -12.26 32.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.6 mmm -77.24 -49.75 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -51.79 -55.96 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -47.48 -54.95 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 19.5 mmtm -41.39 -61.06 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD13 ' CE2' ' A' ' 76' ' ' TYR . 8.2 mt -38.21 -54.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -62.79 -36.08 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 19' ' ' LYS . 14.8 mt-10 -64.8 -68.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -45.77 -34.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.49 -50.79 62.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -63.28 -44.84 93.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.84 -47.22 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG13 HD22 ' A' ' 110' ' ' LEU . 85.0 t -74.41 -45.55 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -51.39 -25.37 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' THR . 10.7 m-80 -105.15 -35.26 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 29' ' ' ASN . 63.3 t80 -35.9 133.31 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 29' ' ' ASN . 36.1 p -132.36 -178.64 5.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.89 174.58 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -47.06 -24.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -102.31 -59.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.65 35.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -90.78 108.65 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HG2' ' HB2' ' A' ' 40' ' ' ALA . 5.9 tpp85 -60.18 115.33 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 38' ' ' LEU . 1.2 mp -90.27 -53.58 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.2 p -54.17 -20.82 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . . . -51.07 -52.43 43.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 38' ' ' LEU . 12.2 tt -71.47 -4.16 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 107' ' ' ALA . 28.4 m-85 -118.28 15.82 13.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -79.44 -62.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 45' ' ' LEU . 1.8 tmm_? -110.92 146.95 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.805 HD23 ' HB3' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -111.32 150.99 42.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' HD12 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 126.97 13.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -77.26 179.68 6.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.66 -38.88 80.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -55.16 -19.94 9.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.25 -66.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 14.8 tp -132.73 88.47 38.01 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.73 -25.24 28.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.34 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.764 ' HA ' HD23 ' A' ' 56' ' ' LEU . 12.2 t0 -53.35 -42.74 67.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' TYR . 4.6 t80 -55.53 -25.66 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' OH ' HD11 ' A' ' 45' ' ' LEU . 8.0 m-85 -87.39 -46.35 9.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -56.97 -41.26 78.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 58' ' ' ILE . 2.3 m -65.63 -48.59 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.4 mp -100.63 109.0 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -31.83 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -121.91 81.65 42.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.711 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 140.77 43.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.9 tpp -130.49 118.42 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.805 ' HB3' HD23 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -118.92 147.29 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmt -51.86 -45.4 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -53.86 -21.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -71.78 -57.25 4.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 67' ' ' ILE . 3.7 mp -46.31 -57.79 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -57.61 -40.86 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 t -49.02 -69.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -65.41 -42.87 92.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 49.0 ttp -46.14 -47.8 17.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.01 -22.11 65.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.57 0.63 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m120 52.79 48.33 22.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -99.16 -12.32 20.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.866 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -68.88 -175.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.48 -32.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 79' ' ' ILE . 3.8 m-20 -172.93 165.46 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 78' ' ' ASP . 13.0 mm -35.82 -54.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -42.1 -47.14 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t -46.48 -48.98 18.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.6 tmm? -69.81 -30.42 67.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . 86.9 t -67.76 -43.54 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.21 -54.93 20.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.4 -67.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.805 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.609 ' CG ' HD22 ' A' ' 114' ' ' LEU . 10.9 m-85 -39.29 -60.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' VAL . 72.4 t -36.1 -46.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 49.7 mtp -58.32 -57.15 14.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 43.7 ttp -38.41 -56.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 18.0 m-85 -66.64 -48.56 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -45.3 -41.76 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -64.3 -57.57 9.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.87 -46.99 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.2 t -49.06 -48.66 43.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.6 m -82.72 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.1 -57.58 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -91.38 143.49 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.13 152.06 94.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.73 2.57 3.39 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -121.41 40.71 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.5 m -120.18 178.28 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.82 -45.66 10.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -65.39 -28.61 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.626 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 9.7 t80 -63.52 -74.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -54.7 -35.45 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.12 -37.87 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -66.5 -39.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -53.41 -40.76 65.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.67 -55.16 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 HG13 ' A' ' 27' ' ' VAL . 57.6 mt -55.47 -52.14 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.465 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 8.8 t-160 -38.53 -51.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -57.14 -50.68 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.604 HG13 ' OE2' ' A' ' 116' ' ' GLU . 98.4 t -48.57 -45.55 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.609 HD22 ' CG ' ' A' ' 86' ' ' PHE . 33.2 tp -60.28 -29.96 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 59.0 mt -78.15 -65.45 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.604 ' OE2' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -37.58 -49.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 p -42.59 -46.97 5.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.117 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -41.0 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -81.57 148.38 29.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.17 149.98 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -109.35 178.18 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.66 157.83 21.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -139.86 172.99 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -84.47 139.73 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.36 -160.44 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -168.61 106.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -76.93 110.35 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -66.8 174.93 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.17 -50.71 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.36 131.18 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.1 tpt -78.67 118.8 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p -101.74 145.83 31.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -19.61 35.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.5 mmm -76.51 -39.17 53.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.07 -53.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -50.67 -45.01 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' O ' HG23 ' A' ' 23' ' ' VAL . 22.3 tptp -49.98 -57.02 8.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 76' ' ' TYR . 9.3 mt -47.16 -70.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -44.16 -40.84 5.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.43 -41.98 96.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' LYS . 90.4 t -73.48 -28.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 32.4 t80 -70.69 -46.72 62.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -70.7 -34.92 72.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.9 -47.04 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.12 -41.46 58.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' HD21 ' A' ' 43' ' ' LEU . 6.9 mtpm? -49.16 -61.59 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 31' ' ' THR . 19.7 m120 -62.04 -31.48 71.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.737 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 25.9 t80 -41.23 126.04 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 29' ' ' ASN . 32.4 p -128.32 171.9 11.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.04 -179.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -14.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -110.02 -67.51 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 33.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -102.01 119.28 38.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -63.21 99.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -80.68 -30.87 36.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -70.0 -10.49 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.97 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 HG12 ' A' ' 103' ' ' ILE . 5.5 tt -60.26 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 21.2 m-85 -102.94 -22.36 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 43' ' ' LEU . 17.7 mt -55.43 -33.61 63.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -144.93 145.26 31.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -106.58 154.39 40.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.941 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 53.0 Cg_endo -69.82 106.25 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -68.79 -175.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -60.02 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -53.43 -34.7 58.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.87 -47.95 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 54' ' ' TYR . 5.9 tp -163.43 108.61 0.98 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.75 -29.53 23.75 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.43 -10.18 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.813 ' HB2' HD23 ' A' ' 51' ' ' LEU . 66.2 t80 -77.67 -61.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.17 -41.9 80.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.8 mt -54.5 -67.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.9 m -54.49 -73.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.6 mm -42.27 132.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 -50.67 8.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -129.17 93.24 36.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 108.56 2.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.297 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 67' ' ' ILE . 16.8 tpp -105.45 121.92 44.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 67' ' ' ILE . 10.8 t0 -119.08 163.16 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.8 mtp -77.83 -7.62 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -82.86 -48.01 11.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HD3' ' CE ' ' A' ' 62' ' ' MET . 12.5 ptmt -52.39 -30.04 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.61 HD11 ' SD ' ' A' ' 62' ' ' MET . 2.8 mp -70.69 -65.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 24' ' ' TYR . 5.4 tmm_? -49.65 -39.16 35.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -60.14 -43.68 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -79.55 -25.54 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 68' ' ' ARG . 15.5 mtm -57.18 -53.45 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.7 mmt -73.27 2.92 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -1.5 34.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.2 t30 50.77 41.87 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -97.66 -19.24 18.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 3.3 p90 -75.56 155.62 35.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -101.26 -40.55 7.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.49 173.65 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 83' ' ' VAL . 25.9 mm -47.38 -33.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -56.44 -36.84 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -59.11 -35.26 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.484 ' SD ' ' CE1' ' A' ' 86' ' ' PHE . 11.9 tmm? -85.87 -40.53 15.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.0 t -59.91 -52.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -52.67 -36.11 56.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -63.44 -65.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE1' ' SD ' ' A' ' 82' ' ' MET . 11.2 m-85 -42.21 -48.01 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 83' ' ' VAL . 98.9 t -39.37 -70.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.4 mtm -35.87 -59.69 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' MET . 30.7 ttp -37.24 -61.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 111' ' ' HIS . 31.1 m-85 -51.01 -49.18 60.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.1 -44.97 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' THR . 32.8 t-20 -50.33 -68.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -36.06 -47.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.35 -44.83 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 92' ' ' ASN . 86.0 m -73.37 -68.36 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -44.32 -64.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -91.77 157.01 17.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.22 149.79 94.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.82 -4.3 13.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -106.54 43.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -130.2 165.21 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.73 -48.11 78.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.528 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -54.66 -37.86 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.53 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 77.0 t80 -57.55 -55.69 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.18 -47.19 54.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -51.75 -44.17 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.03 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 104' ' ' TYR . 5.4 mp -73.3 -39.72 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 113' ' ' VAL . 85.5 t -66.17 -50.58 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 38' ' ' LEU . 12.0 mt -65.04 -57.66 8.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 22.5 t-160 -40.41 -48.33 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -65.02 -37.01 86.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 56.0 t -59.16 -51.9 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.9 tp -49.21 -54.11 18.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -47.01 -51.93 16.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -62.98 -36.1 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.7 m -49.58 -29.45 7.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -41.36 -47.63 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 21.6 ttm105 -123.12 167.71 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 119' ' ' ARG . 14.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -157.47 136.26 11.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -154.46 173.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 -173.64 42.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -171.14 172.68 5.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -171.14 171.48 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.91 128.96 2.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.77 141.45 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -148.77 156.41 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' LYS . 1.6 t -129.63 -35.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' SER . 56.4 mmtt -37.82 -55.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.51 165.08 11.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ttm -42.52 165.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.3 p -128.49 153.37 79.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.594 0.712 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.16 35.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.23 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.6 ppp? -66.47 -32.25 73.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.29 -53.29 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -67.94 -38.22 82.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -48.1 -49.37 32.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 76' ' ' TYR . 13.6 mt -49.69 -46.29 49.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.41 -47.48 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -63.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 117' ' ' THR . 74.4 t -46.08 -32.55 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.49 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 12.9 t80 -63.17 -61.51 2.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.01 -14.72 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.36 77.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -88.86 -34.95 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -65.91 -37.7 86.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -78.24 -29.21 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.675 ' CE2' HG21 ' A' ' 113' ' ' VAL . 32.5 t80 -39.43 136.3 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -136.07 -178.78 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -88.44 -175.1 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -60.31 -9.86 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mmt-85 -112.55 -61.9 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.54 40.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -107.78 111.19 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.5 OUTLIER -66.83 128.83 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.933 HD22 ' OD2' ' A' ' 106' ' ' ASP . 1.7 mt -83.58 -13.61 54.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.7 p -91.34 -7.19 51.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -56.42 -24.36 44.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.506 HD13 HD12 ' A' ' 103' ' ' ILE . 7.7 tt -101.11 -0.62 10.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.64 0.62 5.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 40' ' ' ALA . 11.6 mt -63.92 -62.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -133.64 119.33 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 63' ' ' ASP . 8.9 mt -71.36 153.96 93.79 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.81 166.32 28.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.317 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -78.64 147.28 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.3 ptt-85 -49.61 -38.41 31.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 48' ' ' ARG . 50.8 m -61.85 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.22 -58.89 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 51' ' ' LEU . 10.3 tp -124.11 76.13 59.44 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.08 6.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG22 ' A' ' 57' ' ' THR . 33.7 m-20 -44.11 -47.87 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -48.93 -49.53 39.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -60.82 -29.27 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -78.68 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 58' ' ' ILE . 1.3 t -43.95 -60.27 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' H ' HG23 ' A' ' 57' ' ' THR . 29.6 mm -79.72 127.31 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -78.8 -36.78 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HD2' ' CE ' ' A' ' 88' ' ' MET . 0.1 OUTLIER -124.6 82.98 58.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 110.922 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 30.0 tpp -111.74 124.58 52.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.624 ' HB2' HD12 ' A' ' 45' ' ' LEU . 29.2 t0 -117.33 167.46 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.6 mtp -70.15 -50.03 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -46.83 -34.53 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 10.5 ttmt -57.78 -50.17 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.1 mp -58.81 -60.03 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.0 OUTLIER -43.46 -55.67 4.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.24 -62.69 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -55.89 -24.79 39.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttm -64.45 -49.35 71.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 mmt -75.39 -0.79 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.96 -18.19 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.0 t30 73.09 29.28 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -80.29 -28.62 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 p90 -63.26 156.63 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -115.17 -19.85 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -169.21 169.14 9.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.735 HG21 ' NE ' ' A' ' 118' ' ' ARG . 12.8 mm -50.91 -33.03 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.41 -33.59 73.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.8 m -58.3 -29.79 66.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 18.2 ttp -87.66 -39.94 14.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 87' ' ' VAL . 98.8 t -63.44 -48.38 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 8.3 pt-20 -51.23 -35.26 36.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 78.6 m-20 -72.93 -47.73 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 16.1 m-85 -61.78 -26.42 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.3 t -75.15 -59.95 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.454 ' CE ' ' HD2' ' A' ' 60' ' ' LYS . 14.4 ptm -58.29 -15.11 8.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 45.3 ttp -72.67 -52.32 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 39.9 m-85 -59.95 -50.53 73.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -38.61 -35.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -65.25 -44.32 88.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 90' ' ' PHE . . . -68.2 -17.67 64.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.2 m -86.87 -33.37 19.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.0 p -81.93 -60.88 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 57' ' ' THR . 55.4 t80 -54.26 -57.41 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.584 HD22 HD13 ' A' ' 103' ' ' ILE . 79.1 m-20 -92.43 159.54 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.85 150.92 81.91 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' CD1' ' A' ' 104' ' ' TYR . 53.7 Cg_endo -69.74 0.15 6.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.367 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -96.14 -32.41 12.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.4 m -55.89 140.55 42.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.723 HD23 ' H ' ' A' ' 103' ' ' ILE . 1.6 pt? -48.94 -34.63 13.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.723 ' H ' HD23 ' A' ' 102' ' ' LEU . 15.0 tt -55.16 -31.75 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 99' ' ' PRO . 49.6 t80 -70.45 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.44 -35.83 13.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.933 ' OD2' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -75.53 -39.0 58.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.32 82.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -47.81 83.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 113' ' ' VAL . 84.7 t -51.44 -45.36 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 38' ' ' LEU . 91.0 mt -64.15 -22.56 66.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -77.87 -50.8 11.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -42.67 99.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.675 HG21 ' CE2' ' A' ' 30' ' ' TYR . 54.1 t -55.1 -49.47 71.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 tp -51.13 -39.64 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 72.9 mt -76.7 -19.16 58.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -76.88 -58.99 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.468 HG21 HG13 ' A' ' 23' ' ' VAL . 3.0 t -46.36 -41.62 13.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.735 ' NE ' HG21 ' A' ' 79' ' ' ILE . 4.6 mmm180 -42.18 139.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -129.71 98.52 4.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.8 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -88.34 131.24 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -87.18 -56.47 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.69 -137.39 2.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -65.44 119.88 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.828 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -135.82 145.54 46.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.53 -111.22 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -66.81 89.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -118.92 81.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -106.4 -70.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -148.73 120.41 8.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -172.58 154.9 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.2 mtm -53.09 170.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 p -118.88 146.87 41.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -34.15 14.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 16' ' ' MET . 2.3 ppp? -58.46 -25.28 62.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -60.8 -54.12 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.44 -32.47 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -24.5 67.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.675 HD13 ' CE2' ' A' ' 76' ' ' TYR . 10.0 mt -74.76 -58.99 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -56.3 -28.54 59.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -69.0 -44.8 72.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.13 -50.81 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -53.59 -56.96 12.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 51.0 mt-10 -52.51 -53.55 44.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -36.86 -60.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG13 HD22 ' A' ' 110' ' ' LEU . 47.6 t -55.57 -36.16 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' GLU . 69.3 tttt -64.97 -48.81 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.14 8.19 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 31.1 t80 -77.83 131.71 37.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 p -128.1 176.57 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.03 -176.83 4.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -57.92 -16.56 12.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -105.25 -66.21 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.84 47.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -114.45 118.42 33.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -70.48 119.0 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.2 mp -87.23 -14.26 41.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.0 m -85.17 -11.2 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.53 -47.39 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tt -72.47 -4.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.44 ' HE1' HD11 ' A' ' 103' ' ' ILE . 24.1 m-85 -121.34 23.38 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.92 -73.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -112.39 145.59 39.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 63' ' ' ASP . 70.9 mt -97.8 151.1 37.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.98 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.395 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -66.31 165.6 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.5 -49.6 77.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -46.74 -53.66 11.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.8 -58.17 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 51' ' ' LEU . 10.1 tp -127.74 81.5 70.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.626 0.727 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.98 4.84 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.81 -38.55 11.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -42.68 -47.97 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -63.91 -51.92 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.83 -59.14 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.4 m -59.84 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 96' ' ' TYR . 37.4 mm -57.77 148.88 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -106.93 -50.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -120.66 81.15 32.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 84.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.8 tpp -100.13 117.49 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' HB3' HD11 ' A' ' 45' ' ' LEU . 6.7 p-10 -115.01 -178.62 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mtp -69.05 -55.28 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -42.93 -37.19 1.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -55.41 -46.26 76.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 85' ' ' ASP . 2.5 mp -65.34 -49.93 75.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -57.5 -35.08 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -56.07 -69.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -64.95 -42.14 94.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.6 ttp -50.82 -39.83 54.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.5 mmt -73.2 -23.0 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.68 14.18 23.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 44.92 40.85 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.78 -0.64 57.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.675 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.14 174.11 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -121.91 -28.86 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 21.1 t70 -170.24 169.13 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 20' ' ' LEU . 13.8 mm -46.87 -29.08 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.41 -37.0 84.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 m -46.1 -31.63 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 mtm -88.12 -59.05 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 99.0 t -44.64 -37.22 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.673 ' HB3' HD11 ' A' ' 67' ' ' ILE . 85.5 m-20 -76.04 -59.83 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -41.48 -55.93 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' VAL . 67.2 t -38.18 -51.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' ASN . 5.5 mtt -47.11 -63.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' MET . 8.6 ttm -35.75 -63.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -48.66 -37.34 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.9 m-20 -71.68 -35.27 70.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.75 -21.53 57.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.1 -52.45 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.34 -27.24 68.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.2 m -79.43 -65.3 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 58' ' ' ILE . 89.4 t80 -58.18 -36.88 73.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.774 ' ND2' HD13 ' A' ' 103' ' ' ILE . 27.2 m-20 -104.79 165.62 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 145.77 54.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.542 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 53.8 Cg_endo -69.74 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.374 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.18 29.66 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -123.12 166.8 14.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.1 tt -62.0 -57.88 10.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.774 HD13 ' ND2' ' A' ' 97' ' ' ASN . 10.8 tt -41.08 -38.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.542 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 51.1 t80 -63.79 -71.84 0.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HA ' HD13 ' A' ' 108' ' ' LEU . 26.6 mtpt -43.18 -28.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.53 -53.2 30.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.13 -43.72 41.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 105' ' ' LYS . 7.0 mp -54.8 -63.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 85.8 t -44.55 -58.38 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.631 HD22 HG13 ' A' ' 27' ' ' VAL . 78.1 mt -46.88 -46.95 21.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -47.36 -57.12 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -53.53 -56.75 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.689 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 67.2 t -46.91 -46.48 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.61 -30.54 71.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.79 -19.2 55.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -86.8 -34.2 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.1 p -54.68 -40.39 69.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -40.95 -57.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.21 128.83 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -56.71 117.21 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -130.82 176.65 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.13 -136.36 4.32 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -113.86 124.16 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t 46.11 44.32 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 120.44 5.17 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -131.45 -47.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -47.95 156.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.417 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 87.6 p -101.62 149.3 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 3.4 mppt? -144.9 171.19 14.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.522 ' CG ' ' N ' ' A' ' 13' ' ' MET . 5.0 p90 -35.3 -52.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' CG ' ' A' ' 12' ' ' TYR . 64.9 mmm -133.61 112.26 11.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 11' ' ' LYS . 61.1 p -154.09 151.44 24.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.0 mmm -81.31 -40.68 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' NE2' ' OD1' ' A' ' 74' ' ' ASN . 3.2 tp60 -60.47 -32.06 71.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -82.03 -35.68 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' HD11 ' A' ' 79' ' ' ILE . 14.3 mttt -56.69 -12.78 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 76' ' ' TYR . 18.3 mt -84.8 -40.83 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -81.28 -13.98 57.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' VAL . 9.9 pt-20 -85.26 -46.6 10.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 60.0 t -68.5 -27.26 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -69.73 -46.37 66.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 55.5 mt-10 -72.96 -44.93 60.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.71 -28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.9 t -89.73 -33.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -72.15 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -59.32 -37.59 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 t80 -34.83 139.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 37' ' ' ARG . 3.7 p -141.55 155.2 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -68.85 -174.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -68.53 -2.78 9.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -104.07 -43.64 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.49 4.54 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -92.83 111.52 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' HG22 ' A' ' 31' ' ' THR . 18.7 ptp180 -62.02 126.34 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -61.55 -31.54 71.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 5.9 p -56.99 -25.28 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.59 -32.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 tp -86.97 -24.46 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD1' HG23 ' A' ' 41' ' ' ILE . 11.9 m-85 -115.0 38.05 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -83.65 -75.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -102.06 142.85 32.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 46' ' ' PRO . 6.3 tp -101.49 136.46 19.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.73 119.79 6.68 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' GLU . 7.7 t -59.2 140.16 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -38.82 -34.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -62.06 -47.03 86.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' SER . 16.5 mt-10 -72.82 -47.21 48.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tp -128.24 83.92 64.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.71 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 -24.02 29.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.4 m-20 -70.22 -29.73 66.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 45' ' ' LEU . 39.6 t80 -56.33 -47.15 79.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -72.97 -41.9 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 53' ' ' ASP . 25.3 mt -53.48 -35.77 60.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.1 -52.52 6.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 58' ' ' ILE . 1.3 mp -96.93 125.22 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -83.83 -27.07 29.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -117.64 77.44 11.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 122.97 9.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.1 tpp -130.27 114.57 15.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -117.41 164.02 15.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmt -54.3 -36.76 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' LYS . 13.7 mt-10 -56.37 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 4.9 mtpm? -36.99 -48.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.681 HD13 ' CE1' ' A' ' 86' ' ' PHE . 54.6 mt -55.37 -57.73 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -59.16 -57.16 14.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -45.85 -24.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -95.15 -36.61 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mtm -56.09 -55.96 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.6 mmt -67.79 -9.88 48.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.24 -4.89 44.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 5.6 m-80 50.79 42.96 28.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -94.51 -4.75 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -82.61 -175.48 5.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -132.48 -34.73 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -157.97 -179.91 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 19' ' ' LYS . 5.3 mm -58.49 -31.23 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.62 -16.23 60.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.9 p -67.59 -41.85 83.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.4 ttp -78.09 -45.91 22.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 87' ' ' VAL . 47.4 t -57.45 -47.18 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.87 -14.63 23.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 86' ' ' PHE . 24.4 m-20 -93.22 -69.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.681 ' CE1' HD13 ' A' ' 67' ' ' ILE . 12.6 m-85 -35.45 -46.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' VAL . 41.1 t -38.04 -64.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' ASN . 1.8 mpp? -36.04 -62.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' MET . 15.0 ttp -36.4 -57.03 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 1.8 m-30 -55.14 -40.92 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' MET . 90.6 m-20 -77.79 -16.41 58.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -88.73 -15.01 35.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.991 ' HB1' HD11 ' A' ' 103' ' ' ILE . . . -95.22 -56.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.7 p -45.02 -27.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.402 ' OG1' ' N ' ' A' ' 96' ' ' TYR . 45.7 p -85.61 -68.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' N ' ' OG1' ' A' ' 95' ' ' THR . 4.2 t80 -43.12 -58.6 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -90.69 151.24 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -72.59 150.66 91.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.481 ' HA ' ' CG ' ' A' ' 104' ' ' TYR . 52.9 Cg_endo -69.81 1.28 4.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.347 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -82.22 -39.0 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.432 ' HB3' HG22 ' A' ' 103' ' ' ILE . 2.3 t -66.09 179.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -83.51 -35.41 24.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.991 HD11 ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -48.0 -23.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.481 ' CG ' ' HA ' ' A' ' 99' ' ' PRO . 65.0 t80 -72.99 -73.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 17.8 pttt -52.43 -33.97 46.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 3.4 m-20 -64.74 -43.58 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.08 -34.85 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.33 -47.61 22.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 113' ' ' VAL . 23.1 t -42.41 -52.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' VAL . 22.5 mt -55.49 -53.51 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -37.86 -49.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -39.88 95.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 18.1 t -67.28 -31.67 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.3 tp -72.78 -23.17 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.7 mt -81.92 -51.38 8.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 117' ' ' THR . 9.5 pt-20 -65.36 -38.21 89.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.7 t -64.28 -28.59 69.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -97.94 -2.81 39.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.5 ttt85 -90.48 23.73 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 m -90.3 175.48 7.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.919 0.39 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -90.18 166.36 13.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.08 94.13 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -138.6 136.53 36.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p -113.56 176.64 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.75 93.29 0.79 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -113.85 42.95 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -78.23 -48.91 14.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.7 m -142.34 136.09 29.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -119.45 135.11 54.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -109.76 135.98 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.7 mtp -56.54 139.21 50.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -130.52 145.46 57.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.18 13.52 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 55.3 mmm -94.99 -34.67 12.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.2 mp0 -70.57 -44.16 67.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.3 pt20 -62.19 -42.24 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.863 ' HG3' HD11 ' A' ' 79' ' ' ILE . 17.2 tptm -55.51 -42.2 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 79' ' ' ILE . 48.4 mt -53.67 -53.39 52.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -60.42 -40.7 91.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -52.08 -62.6 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.06 -52.31 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.7 t80 -51.27 -33.28 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -84.31 -26.99 28.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.34 -21.78 64.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -93.37 -48.7 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.667 ' HD2' HD21 ' A' ' 43' ' ' LEU . 35.0 tttm -60.23 -46.68 88.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -41.64 129.84 3.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -137.6 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -75.64 178.58 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -54.11 -18.34 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -104.36 -69.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.83 42.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -98.34 123.26 42.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -77.68 115.86 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.654 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.21 -55.18 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -50.27 -19.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -50.54 -26.21 4.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.075 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.8 tp -64.81 -34.47 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.922 ' CE1' HD11 ' A' ' 103' ' ' ILE . 49.5 m-85 -97.22 -33.15 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' ALA . 12.6 mt -34.64 -39.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -129.34 94.86 3.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 61' ' ' PRO . 6.5 tp -88.1 139.12 30.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.639 ' HD2' HD12 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.69 132.62 23.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.379 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.4 m -73.34 171.85 12.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.52 ' HB3' ' CE2' ' A' ' 55' ' ' TYR . 15.2 ptm180 -49.16 -34.42 14.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' GLU . 3.6 m -78.44 -57.0 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 11.3 mm-40 -36.33 -47.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 54' ' ' TYR . 16.1 tp -146.89 110.39 4.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.72 -32.72 18.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.956 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.0 t70 -62.29 -69.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.805 ' HB2' HD23 ' A' ' 51' ' ' LEU . 12.3 t80 -44.67 -29.08 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 48' ' ' ARG . 2.8 t80 -79.91 -32.3 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.956 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -72.24 -36.21 69.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -77.74 -57.39 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.3 mm -91.87 120.0 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -83.83 -37.66 22.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -107.95 70.84 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.531 0.681 . . . . 0.0 110.882 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HB2' HD21 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.74 93.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 112.397 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.9 ttm -91.15 128.39 36.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 45' ' ' LEU . 8.9 p-10 -119.07 157.21 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.2 mtp -55.08 -52.16 64.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.0 -38.39 2.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -58.81 -68.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.67 HD13 ' CE2' ' A' ' 86' ' ' PHE . 19.0 mt -38.37 -44.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 26.1 ttt-85 -58.38 -66.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.5 t -45.44 -21.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 73' ' ' ALA . 7.5 m170 -86.14 -54.96 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.545 ' HE3' ' HA ' ' A' ' 68' ' ' ARG . 4.7 ptp -42.97 -44.33 4.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 71' ' ' MET . 15.9 mmt -65.4 -32.13 73.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' HIS . . . -84.54 24.31 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 73' ' ' ALA . 6.5 p30 44.97 36.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 5.9 mmpt? -76.52 -49.27 16.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' A' ' 67' ' ' ILE . 78.6 m-85 -79.22 95.3 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.94 -51.88 47.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -126.17 159.16 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.863 HD11 ' HG3' ' A' ' 19' ' ' LYS . 18.5 mm -48.53 -44.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -42.85 -57.13 2.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -45.6 -46.09 14.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 29.3 ttp -67.23 -30.2 70.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -40.41 -32.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 87' ' ' VAL . 3.3 m-20 -68.57 -69.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.67 ' CE2' HD13 ' A' ' 67' ' ' ILE . 12.1 m-85 -38.64 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ASP . 92.0 t -67.41 -64.43 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.9 ptm -56.08 -16.13 4.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 39.8 ttp -75.73 -45.14 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 31.3 m-85 -70.33 -34.69 72.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -59.05 -44.45 91.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -50.32 -28.56 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.46 -64.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 29.1 p -49.07 -19.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 81.7 p -92.57 -36.19 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -77.95 -62.8 1.55 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -90.43 173.42 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.96 150.14 88.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.6 Cg_endo -69.75 -1.0 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.27 38.41 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -97.32 166.17 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -59.32 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.922 HD11 ' CE1' ' A' ' 42' ' ' PHE . 4.0 tt -48.81 -36.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.468 ' CD2' ' O ' ' A' ' 99' ' ' PRO . 26.8 t80 -41.86 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -38.11 -49.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.9 -51.73 65.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 90' ' ' PHE . . . -49.38 -42.1 41.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.88 -60.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.8 t -51.73 -59.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.5 mt -47.19 -51.07 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -48.72 -46.93 41.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -65.44 -48.56 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.1 t -53.73 -45.34 61.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.54 -43.59 93.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.41 -60.03 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -51.64 -39.5 58.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 118' ' ' ARG . 68.2 m -68.1 -42.84 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 117' ' ' THR . 2.3 tmm_? -34.42 -51.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.52 142.92 45.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -143.54 175.06 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -172.94 173.65 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 130.92 2.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -163.49 151.03 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.557 ' HA ' ' CE1' ' A' ' 12' ' ' TYR . 83.3 p -84.4 177.24 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.01 -30.2 8.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -40.88 98.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -58.05 179.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' C ' ' CD ' ' A' ' 11' ' ' LYS . 6.1 t 74.85 54.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 65.97 54.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE1' HG21 ' A' ' 14' ' ' THR . 28.4 t80 -37.17 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' THR . 66.6 mtp -91.53 121.33 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.618 HG21 ' CE1' ' A' ' 12' ' ' TYR . 20.2 p -158.89 154.46 22.66 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.078 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -24.91 28.94 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.305 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 68.1 mmm -55.56 -41.36 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.95 -55.13 37.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -51.23 -56.6 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -44.1 -56.92 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' CE2' ' A' ' 76' ' ' TYR . 9.7 mt -40.44 -66.41 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -52.22 -51.68 56.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -46.99 -64.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' CG2' ' A' ' 117' ' ' THR . 79.5 t -44.11 -51.65 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 t80 -51.65 -47.6 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -61.95 -49.9 74.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.87 -44.12 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 HD22 ' A' ' 110' ' ' LEU . 98.6 t -69.25 -39.44 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 37' ' ' ARG . 16.8 ttpp -63.83 -52.5 59.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.71 -38.33 87.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.73 120.8 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 35' ' ' GLY . 11.1 p -117.65 168.11 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -81.51 -176.15 5.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -61.65 -19.24 62.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -96.6 -24.68 15.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 31' ' ' THR . . . 113.31 -24.6 12.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 17.2 ttt180 -54.78 131.78 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 18.8 mmt85 -66.54 132.76 48.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD23 ' CB ' ' A' ' 106' ' ' ASP . 6.1 mp -90.41 -21.5 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 42' ' ' PHE . 78.8 p -91.78 -32.28 15.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -40.21 -51.3 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.44 HD13 HD12 ' A' ' 103' ' ' ILE . 5.7 tt -52.69 -35.48 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' SER . 52.1 m-85 -81.22 -41.25 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 40' ' ' ALA . 66.9 mt -39.06 -67.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -107.71 118.63 37.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 54' ' ' TYR . 54.0 mt -99.76 155.54 36.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 105.21 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.9 m -39.93 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 49' ' ' SER . 6.0 ppt_? -43.24 -36.01 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.448 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 31.1 t -62.98 -53.95 46.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.97 -55.23 31.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 tp -132.68 81.26 59.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -25.72 27.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.306 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.878 ' HA ' HD23 ' A' ' 56' ' ' LEU . 3.5 p30 -64.75 -51.11 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 45' ' ' LEU . 18.2 t80 -44.89 -34.03 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -76.16 -45.76 31.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -61.19 -36.0 78.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.6 m -74.17 -55.16 6.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.924 HD11 ' HB2' ' A' ' 96' ' ' TYR . 50.6 mm -75.88 126.93 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -74.2 -48.56 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 12.2 ttmt -127.65 88.67 52.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 53.5 Cg_endo -69.72 124.12 10.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 21.4 tpp -120.45 122.49 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.11 156.13 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.655 ' HA ' HD13 ' A' ' 67' ' ' ILE . 4.6 mmm -50.47 -42.23 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -47.46 -54.36 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.714 HD12 ' H ' ' A' ' 67' ' ' ILE . 5.2 mp -43.56 -69.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -41.87 -54.88 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 t -38.33 -54.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -71.24 -40.42 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 30.6 mtm -51.57 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 mmt -53.15 -27.99 23.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' ASN . . . -86.25 14.71 6.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 32.66 53.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -97.51 -31.41 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.885 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -56.59 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -134.01 -36.71 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.04 157.04 43.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.7 mm -40.2 -52.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.03 -39.65 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 93.7 p -42.46 -41.74 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.417 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 11.2 tmm? -84.66 -30.37 24.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 87' ' ' VAL . 63.0 t -64.29 -41.55 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.0 pt-20 -63.22 -36.38 83.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 84' ' ' GLU . 21.1 m-20 -63.99 -51.75 62.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.483 ' CZ ' ' SD ' ' A' ' 64' ' ' MET . 10.4 m-85 -54.5 -56.04 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.4 t -38.82 -41.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.3 mtp -60.3 -55.47 33.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 33.1 mtm -38.26 -52.34 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.709 ' HD1' ' HB1' ' A' ' 107' ' ' ALA . 8.1 m-85 -73.39 -49.1 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.46 -55.54 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.721 ' HB2' HD12 ' A' ' 58' ' ' ILE . 3.5 p30 -67.4 -46.27 73.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' OD1' ' A' ' 92' ' ' ASN . . . -43.95 -45.06 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.35 -41.81 94.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.8 m -69.39 -58.46 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 58' ' ' ILE . 68.5 t80 -59.05 -56.16 25.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -90.25 141.57 28.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -64.66 152.1 90.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 53.9 Cg_endo -69.69 1.44 4.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -120.88 45.34 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -124.44 178.2 5.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.71 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 104' ' ' TYR . 19.2 tt -48.03 -42.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 99' ' ' PRO . 24.7 t80 -53.13 -62.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -51.86 -40.45 60.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.678 ' CB ' HD23 ' A' ' 38' ' ' LEU . 84.7 m-20 -61.6 -56.4 20.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.709 ' HB1' ' HD1' ' A' ' 90' ' ' PHE . . . -44.42 -53.25 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.76 -61.51 2.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.2 t -40.34 -57.83 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.522 HD22 HG13 ' A' ' 27' ' ' VAL . 63.8 mt -49.64 -59.24 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -37.54 -65.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -44.66 -48.08 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.43 -57.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.25 -42.04 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.56 -63.36 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 119' ' ' ARG . 6.0 pt-20 -59.14 -21.82 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 23' ' ' VAL . 52.4 m -70.07 -72.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -34.15 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 116' ' ' GLU . 18.8 mtp180 -117.81 112.83 20.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -88.28 89.3 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.917 0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -53.92 -47.68 70.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.77 173.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -171.82 143.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.918 0.39 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 p -46.66 164.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.67 -179.59 38.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.44 176.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -59.38 111.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 m -109.35 126.71 53.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -74.95 101.61 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -137.46 106.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.4 ptp -109.15 136.62 48.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.83 143.0 46.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -10.01 27.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.6 mtp -84.72 -19.74 32.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 45.9 tp60 -63.65 -32.69 74.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -75.06 -49.39 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -51.21 -56.88 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 79' ' ' ILE . 21.5 mt -41.2 -42.49 2.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -73.23 -52.63 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -41.35 -53.5 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -59.07 -47.4 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 4.0 t80 -56.07 -54.21 47.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.2 mt-10 -58.24 -55.65 32.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.08 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -62.76 -37.51 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' GLU . 19.7 ttpt -74.88 -48.57 24.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' TYR . 75.6 m-80 -63.79 -36.59 84.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 29' ' ' ASN . 64.5 t80 -34.37 140.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.97 165.28 27.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -75.53 -176.84 3.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -61.73 -22.07 65.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 34' ' ' ARG . 2.9 mpt_? -95.3 -53.25 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.66 34.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -99.62 126.46 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -74.05 105.33 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -84.49 -18.13 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 p -78.86 -11.63 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.29 -43.96 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -72.9 -0.11 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CZ ' HG13 ' A' ' 103' ' ' ILE . 22.5 m-85 -120.35 16.96 12.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.38 -30.33 15.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -147.91 135.0 20.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -90.0 149.88 42.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 140.95 44.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 m -63.41 172.95 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.29 -47.12 85.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -50.75 -56.04 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -58.58 -73.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 54' ' ' TYR . 10.0 tp -120.11 81.86 28.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.37 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 1.1 m-20 -46.44 -38.91 9.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HD2' HD23 ' A' ' 51' ' ' LEU . 14.9 t80 -36.9 -54.14 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -65.73 -46.05 80.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.8 mm? -52.1 -65.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.2 m -55.45 -72.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.5 mm -55.38 138.91 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.94 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -144.31 119.23 5.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 133.38 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 46.3 tpp -123.3 115.91 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' HD21 ' A' ' 45' ' ' LEU . 2.1 t70 -119.18 153.65 34.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.6 mmm -38.98 -65.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 68' ' ' ARG . 14.7 mm-40 -39.11 -54.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' GLU . 32.3 tttt -35.53 -47.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.6 -37.28 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' GLU . 45.8 ttt180 -58.98 -64.52 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ARG . 16.6 t -36.36 -55.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -55.97 -57.97 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 71' ' ' MET . 0.9 OUTLIER -41.79 -55.62 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.9 mmt -56.93 -32.03 65.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HB3' ' HG3' ' A' ' 75' ' ' LYS . . . -84.77 29.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' ND2' ' OE1' ' A' ' 17' ' ' GLN . 5.0 m120 34.62 45.97 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 39.5 mttm -87.39 -45.83 10.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.3 159.26 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -124.05 -11.53 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 79' ' ' ILE . 2.6 t70 -167.54 167.66 13.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.541 HD13 HD23 ' A' ' 20' ' ' LEU . 19.2 mm -63.55 -46.54 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' ILE . 31.1 t70 -34.43 -55.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.4 m -56.97 -53.11 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.9 ttp -54.58 -34.48 62.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.8 t -67.31 -46.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -47.04 -59.96 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' MET . 1.2 m-20 -52.2 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' ASP . 5.5 m-85 -36.93 -53.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 83' ' ' VAL . 88.3 t -47.59 -41.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' ASP . 29.4 ttp -59.6 -54.74 42.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 23.9 ttp -38.7 -38.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CE1' ' HB2' ' A' ' 110' ' ' LEU . 18.4 m-85 -79.68 -49.11 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -59.91 -64.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.43 ' O ' HG23 ' A' ' 95' ' ' THR . 12.3 p-10 -46.5 -37.48 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.64 -37.34 76.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.599 ' SG ' ' CE1' ' A' ' 104' ' ' TYR . 1.8 t -85.74 40.62 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 92' ' ' ASN . 77.7 p -102.27 -69.85 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 96' ' ' TYR . 3.7 p90 -111.11 38.13 2.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -118.68 140.05 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -74.65 152.29 87.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 104' ' ' TYR . 54.0 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -93.41 -45.46 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -47.01 151.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.99 -33.24 70.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 12.6 tt -64.06 -16.52 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.599 ' CE1' ' SG ' ' A' ' 94' ' ' CYS . 64.7 t80 -78.28 -72.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -53.07 -54.44 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -44.04 -46.41 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 108' ' ' LEU . . . -58.05 -68.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 107' ' ' ALA . 67.6 mt -36.88 -46.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.11 -63.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 6.7 mt -46.06 -32.69 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.492 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 23.0 t-160 -57.36 -44.29 84.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -74.41 -40.37 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 30' ' ' TYR . 99.4 t -49.45 -37.83 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.564 HD21 HG13 ' A' ' 83' ' ' VAL . 9.8 tp -76.56 -25.94 54.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.94 -38.55 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.66 -44.2 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 118' ' ' ARG . 1.0 OUTLIER -49.8 -53.65 24.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 119' ' ' ARG . 29.8 mmm-85 -36.88 154.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 118' ' ' ARG . 83.7 mtm180 -35.07 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -60.51 131.2 50.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -157.89 123.73 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.4 158.45 27.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.79 174.28 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 t -51.21 148.93 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.76 119.72 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -169.5 135.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -125.1 85.04 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.0 m -118.95 86.7 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -167.33 157.26 10.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -98.32 171.33 8.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.8 ptm -40.54 133.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -129.27 151.23 77.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -23.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.455 ' HE1' ' HA ' ' A' ' 78' ' ' ASP . 4.8 ptm -62.14 -18.93 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.5 tm0? -60.94 -46.06 92.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.75 -41.52 99.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.12 -40.6 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 79' ' ' ILE . 7.2 mt -51.38 -49.41 61.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -63.53 -45.71 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.74 -47.75 50.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.31 -60.98 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 68' ' ' ARG . 58.8 t80 -40.98 -49.17 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 19.4 mt-10 -63.27 -51.94 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' GLU . . . -35.78 -52.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG13 HD22 ' A' ' 110' ' ' LEU . 60.9 t -60.32 -58.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -48.34 -56.58 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' TYR . 2.1 m120 -58.21 -45.72 87.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CZ ' HG21 ' A' ' 113' ' ' VAL . 52.3 t80 -35.4 141.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.87 177.75 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.21 -177.73 4.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -59.83 -12.98 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -111.08 -71.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 40.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -100.19 108.66 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.45 125.25 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 m -57.19 -13.64 3.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.86 -34.11 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 38' ' ' LEU . 7.0 tt -91.63 1.73 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' CD2' HG23 ' A' ' 41' ' ' ILE . 48.8 m-85 -129.75 26.66 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.98 -70.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -136.86 157.88 45.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' ' 63' ' ' ASP . 0.7 OUTLIER -111.83 154.74 43.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.925 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.78 67.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.354 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -60.87 159.5 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -61.46 -49.51 76.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.8 p -47.43 -43.51 23.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.45 -54.28 8.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -128.23 80.91 71.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' HA ' HD12 ' A' ' 56' ' ' LEU . 67.4 m-20 -42.37 -33.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.44 -48.81 79.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -69.43 -25.14 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 53' ' ' ASP . 53.7 mt -71.63 -53.88 12.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.517 HG22 HD12 ' A' ' 58' ' ' ILE . 96.6 m -64.16 -65.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 57' ' ' THR . 1.2 mp -68.5 126.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -66.02 -49.95 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -126.11 104.96 25.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.574 0.702 . . . . 0.0 110.88 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 54.1 Cg_endo -69.75 112.86 3.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 67' ' ' ILE . 10.3 ttm -107.57 125.06 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.546 ' HB3' HD21 ' A' ' 45' ' ' LEU . 14.7 p-10 -113.01 155.32 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtp -64.86 -21.73 66.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.98 -56.19 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 5.4 ptmt -51.57 -28.96 15.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.711 HD11 ' SD ' ' A' ' 62' ' ' MET . 8.9 mt -88.36 -32.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 4.0 tmm_? -74.3 -66.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.8 t -42.12 -55.6 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 66' ' ' LYS . 51.5 m170 -52.53 -53.23 48.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -47.77 -47.48 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.4 mmt -55.09 -45.14 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.28 15.54 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.5 t30 42.67 39.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -68.59 -49.91 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -51.99 169.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -91.69 -53.52 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' HA ' ' HE1' ' A' ' 16' ' ' MET . 1.8 p30 -144.01 168.32 20.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 20' ' ' LEU . 26.9 mm -52.97 -48.97 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ILE . 4.0 t70 -35.85 -54.0 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.3 m -47.92 -53.27 16.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 20.8 ttp -55.67 -41.28 73.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.4 t -61.06 -62.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 6.2 pt-20 -46.31 -35.7 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' PHE . 44.7 m-20 -64.95 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CE2' HG21 ' A' ' 67' ' ' ILE . 10.0 m-85 -34.7 -39.17 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 83' ' ' VAL . 94.1 t -49.4 -57.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 20.4 mtm -40.85 -54.51 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 17.0 ttp -40.28 -64.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -52.66 -51.49 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -44.12 -49.16 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -51.85 -64.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -43.63 -38.22 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.1 m -60.8 -40.49 92.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.7 m -82.71 -60.22 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -49.14 -54.65 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -96.48 149.23 21.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.02 151.19 97.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.689 0.756 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.95 27.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -78.95 -34.7 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -51.14 175.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.0 tt -89.23 -46.8 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.511 HD12 ' CD1' ' A' ' 41' ' ' ILE . 10.8 tt -46.06 -21.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.602 ' CE2' HD11 ' A' ' 108' ' ' LEU . 85.7 t80 -70.69 -41.53 71.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.517 ' O ' HG23 ' A' ' 109' ' ' VAL . 29.4 mtpp -64.21 -37.85 88.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.68 ' HB2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -67.77 -48.77 65.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -50.29 -46.76 55.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 104' ' ' TYR . 89.1 mt -60.5 -43.59 96.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 105' ' ' LYS . 83.3 t -59.57 -49.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD22 HG13 ' A' ' 27' ' ' VAL . 76.8 mt -53.07 -56.33 17.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -43.38 -63.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.4 tttm -46.17 -47.13 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG21 ' CZ ' ' A' ' 30' ' ' TYR . 92.8 t -58.78 -52.38 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.67 -30.27 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 90.7 mt -73.14 -66.55 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 117' ' ' THR . 16.4 pt-20 -47.3 -42.88 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 116' ' ' GLU . 11.2 m -39.4 -48.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -39.83 131.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -74.59 121.53 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.6 t -113.88 -45.38 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.9 m -37.46 121.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.64 -84.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m -77.22 146.84 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.44 138.98 3.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.21 -179.26 20.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -78.19 -39.46 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.22 108.94 4.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.957 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -93.49 43.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -64.32 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.27 171.03 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 tpt -47.99 129.74 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -137.48 151.99 72.17 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.532 0.682 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.9 mmm -88.15 -39.11 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -48.53 -52.5 22.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -53.0 -59.92 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -51.58 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 79' ' ' ILE . 10.5 mt -47.73 -46.07 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -66.57 -49.11 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.38 -42.69 61.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.54 -42.91 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -64.81 -35.59 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -77.83 -35.97 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.02 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG13 HD22 ' A' ' 110' ' ' LEU . 78.6 t -96.22 -49.89 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -56.79 -35.91 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 11.8 t30 -97.19 9.57 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' CE1' HG21 ' A' ' 113' ' ' VAL . 82.9 t80 -67.53 148.02 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -144.98 177.2 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.43 -178.4 3.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -57.71 -17.05 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -94.49 -44.93 7.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.49 -1.06 5.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -72.66 129.95 39.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 13.5 ttp-105 -68.91 137.57 53.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 106' ' ' ASP . 2.4 mm? -89.3 -56.02 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' PHE . 19.7 p -54.2 -14.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -41.48 -56.5 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tt -71.38 -15.11 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.886 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 41.5 m-85 -109.18 28.86 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 40' ' ' ALA . 19.3 mt -94.33 -70.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -114.79 161.12 18.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 63' ' ' ASP . 51.4 mt -106.31 155.28 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.91 2.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -38.88 157.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -59.0 -58.36 9.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.0 p -40.46 -38.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -72.34 -61.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -127.77 80.29 72.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.66 3.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -92.56 -28.57 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' CD2' ' N ' ' A' ' 55' ' ' TYR . 12.7 t80 -52.0 -64.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.417 ' N ' ' CD2' ' A' ' 54' ' ' TYR . 27.0 m-85 -45.39 -49.5 13.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 mt -53.41 -43.21 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.618 HG22 HD12 ' A' ' 58' ' ' ILE . 25.4 m -63.06 -63.65 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.618 HD12 HG22 ' A' ' 57' ' ' THR . 1.6 mp -92.17 107.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -59.04 -30.47 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -108.1 91.38 7.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 86.65 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.248 . . . . 0.0 112.36 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 67' ' ' ILE . 25.5 tpp -88.37 113.68 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' HB3' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.29 139.95 51.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.679 ' HA ' HD13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.78 -18.03 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' ILE . 57.7 mt-10 -66.95 -66.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' GLU . 12.4 ptmt -35.76 -33.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.708 HG23 ' HG3' ' A' ' 82' ' ' MET . 4.3 mp -69.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -47.08 -53.38 12.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -52.11 -47.39 65.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -60.96 -57.54 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.4 ttp -51.79 -53.9 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.4 mmt -51.55 -36.45 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.94 20.72 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 p30 40.36 34.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -81.22 -40.2 24.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 70' ' ' HIS . 28.4 m-85 -66.8 127.73 33.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -81.04 -44.62 17.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.63 174.44 9.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 20' ' ' LEU . 39.5 mm -71.13 -48.22 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.18 -46.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t -50.97 -43.84 60.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.708 ' HG3' HG23 ' A' ' 67' ' ' ILE . 24.5 ttp -74.47 -33.92 63.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' ASP . 39.1 t -67.09 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -38.68 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' VAL . 39.0 m-20 -79.12 -57.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.662 ' HE1' HG21 ' A' ' 67' ' ' ILE . 5.4 m-85 -47.6 -36.61 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.61 -30.07 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.02 -42.53 57.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.561 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.6 ptt? -67.2 -27.87 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 25.0 m-85 -78.81 -30.85 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -73.07 -41.58 63.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 58' ' ' ILE . 40.9 t-20 -45.5 -22.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' A' ' 103' ' ' ILE . . . -71.4 -53.69 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.8 p -69.86 -22.55 63.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.4 m -76.1 -56.42 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -79.72 -47.06 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -91.63 154.42 19.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -73.37 152.18 89.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 2.88 3.13 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.28 -40.46 15.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.0 t -47.45 169.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.93 -46.07 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.963 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -44.38 -25.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -64.73 -46.02 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -60.13 -51.04 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.649 ' HB2' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.27 -43.91 67.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -39.81 -45.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.68 -40.24 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 113' ' ' VAL . 82.3 t -55.95 -48.22 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.753 HD22 HG13 ' A' ' 27' ' ' VAL . 42.5 mt -64.85 -53.85 40.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 110' ' ' LEU . 4.7 t-160 -34.41 -65.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 115' ' ' LEU . 15.0 tttp -46.76 -53.28 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 30' ' ' TYR . 58.0 t -51.66 -41.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' HG22 ' A' ' 117' ' ' THR . 22.0 tp -63.15 -18.69 63.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 112' ' ' LYS . 26.8 mt -92.69 -60.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 113' ' ' VAL . 5.6 pt-20 -48.54 -24.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 114' ' ' LEU . 8.9 t -77.9 -36.35 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' THR . 26.5 mtm180 -38.0 -43.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 22.0 ttm105 -149.64 120.94 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -78.31 147.74 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 72.2 m -133.94 105.01 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 36.38 84.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.1 p -35.67 146.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -38.73 115.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 59.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -95.43 -51.75 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -84.18 -45.53 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t -122.61 110.31 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -127.6 162.66 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -108.29 121.58 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.42 82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -67.69 148.19 98.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.71 33.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.3 ttm -81.18 -41.16 22.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -42.5 -43.24 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' LEU . 18.7 mp0 -71.79 -61.98 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 19' ' ' LYS . 2.1 tmtm? -38.06 -29.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' A' ' 76' ' ' TYR . 16.4 mt -73.1 -70.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -47.23 -31.62 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -61.61 -57.17 13.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 73.2 t -57.84 -30.68 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.32 -61.69 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -61.9 -19.45 62.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -60.83 -45.19 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.432 ' CG1' HD22 ' A' ' 110' ' ' LEU . 92.0 t -74.19 -36.74 44.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -63.31 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 30' ' ' TYR . 76.3 m-20 -74.62 -35.06 62.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 20.8 t80 -36.23 134.45 0.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.87 162.92 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -77.27 -177.08 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.04 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -95.74 -29.22 14.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.98 51.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -112.04 116.53 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -71.3 121.28 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -89.96 -15.05 32.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 t -81.64 -14.4 56.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.08 -35.36 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.15 1.26 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CZ ' HD11 ' A' ' 103' ' ' ILE . 42.1 m-85 -125.14 15.34 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.39 -53.4 57.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptt-85 -164.38 168.15 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -104.43 153.4 39.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.587 0.708 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.41 14.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 m -60.03 154.99 17.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -66.98 -38.2 85.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -69.38 -21.86 63.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 52' ' ' PRO . 39.1 mt-10 -85.75 -64.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.4 tp -110.85 69.56 0.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD3' ' C ' ' A' ' 50' ' ' GLU . 53.3 Cg_endo -69.82 -10.79 29.35 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.5 m-20 -63.63 -51.03 66.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -52.03 -41.7 62.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -65.82 -18.68 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 53' ' ' ASP . 34.7 mt -88.17 -60.33 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 58' ' ' ILE . 2.6 t -50.25 -57.25 8.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.616 ' H ' HG23 ' A' ' 57' ' ' THR . 10.7 mm -94.13 121.1 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -74.15 -34.95 64.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -119.73 82.21 26.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.396 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.2 tpp -141.22 114.43 8.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -117.6 156.95 27.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 67' ' ' ILE . 2.2 mmm -46.74 -59.08 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' MET . 8.3 mm-40 -36.22 -44.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -54.99 -53.07 60.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 64' ' ' MET . 3.1 mp -48.3 -62.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.04 -52.35 43.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -38.75 -68.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -61.38 -46.9 88.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.9 ttp -51.4 -29.55 16.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -83.33 -25.24 31.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.95 -0.26 57.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m120 53.52 53.83 11.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -101.77 -9.98 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 20' ' ' LEU . 1.3 p90 -71.07 -177.16 1.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -129.02 -34.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -159.97 -176.82 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 mm -55.67 -48.85 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.75 -20.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 p -63.63 -35.85 81.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -90.56 -27.18 19.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 87' ' ' VAL . 91.5 t -72.18 -36.89 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -56.17 -48.86 75.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' MET . 0.6 OUTLIER -67.69 -63.98 0.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.584 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 m-85 -38.39 -38.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 83' ' ' VAL . 99.5 t -66.62 -41.38 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ASP . 41.6 mtp -62.64 -52.88 61.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' MET . 13.2 mtm -34.61 -56.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 86' ' ' PHE . 4.5 m-85 -58.65 -53.96 52.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.645 ' O ' HG23 ' A' ' 95' ' ' THR . 95.6 m-20 -47.83 -51.47 22.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 96' ' ' TYR . 10.7 m-20 -55.15 -24.38 26.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . -77.15 -64.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 31.5 p -51.0 -36.16 37.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' ASN . 26.9 p -77.37 -52.84 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 57' ' ' THR . 26.7 t80 -56.04 -58.82 6.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -94.93 176.06 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -74.96 151.22 86.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 104' ' ' TYR . 53.4 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.48 43.54 3.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -105.03 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 8.0 mp -86.49 -17.24 34.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.956 HD13 ' O ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -97.66 -21.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.711 ' CE1' HD11 ' A' ' 108' ' ' LEU . 26.2 t80 -61.21 -67.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 106' ' ' ASP . 43.3 pttt -37.68 -54.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -57.3 -34.38 68.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 104' ' ' TYR . . . -56.23 -36.73 68.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.711 HD11 ' CE1' ' A' ' 104' ' ' TYR . 5.6 mp -75.71 -56.02 5.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.0 t -43.1 -53.77 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 27' ' ' VAL . 28.2 mt -52.2 -57.76 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 90' ' ' PHE . 21.6 t-160 -41.72 -46.84 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -62.14 -47.48 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 90.3 t -47.66 -53.51 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 83' ' ' VAL . 58.9 tp -52.87 -38.48 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.65 -44.67 95.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -55.45 -42.65 74.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.0 p -72.96 -33.91 66.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' NH2' HG21 ' A' ' 83' ' ' VAL . 1.5 tpp85 -76.13 121.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -58.2 134.83 56.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 stop_ save_