data_2e2w_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 2e2w _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' THR . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ILE . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 91' ' ' PRO . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.441 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.441 ' HE1' ' CZ3' ' A' ' 92' ' ' TRP . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.4 t60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' A' ' 44' ' ' VAL . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 17' ' ' GLU . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m120 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.511 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.3 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLN . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 80' ' ' LEU . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 HG22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.457 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' C ' HG22 ' A' ' 75' ' ' VAL . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 76' ' ' LYS . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG11 ' A' ' 75' ' ' VAL . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 36' ' ' ILE . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 2.2 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 62.1 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 39' ' ' PHE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.471 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ARG . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 99' ' ' HIS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 4.4 m120 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.438 ' CD2' HG23 ' A' ' 67' ' ' ILE . 72.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' CZ ' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' ' CD1' ' A' ' 98' ' ' ILE . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 75' ' ' VAL . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.474 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' ALA . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.6 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' TYR . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 43' ' ' ILE . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 HG12 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.443 ' CE3' HG12 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.546 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.546 ' HE1' ' CZ3' ' A' ' 92' ' ' TRP . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' SG ' ' A' ' 53' ' ' CYS . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 52' ' ' TYR . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.5 t30 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' CD1' ' A' ' 18' ' ' PHE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 52' ' ' TYR . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' N ' HG22 ' A' ' 51' ' ' THR . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' VAL . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' VAL . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 79' ' ' TRP . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.458 ' CE3' HG13 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.414 ' CZ3' ' HE2' ' A' ' 97' ' ' MET . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.414 ' HE2' ' CZ3' ' A' ' 92' ' ' TRP . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 40.5 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.44 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 13' ' ' PHE . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 32' ' ' LEU . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.494 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.494 ' HE1' ' CZ3' ' A' ' 92' ' ' TRP . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 28.6 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 53.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.409 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.465 HG23 ' NE1' ' A' ' 92' ' ' TRP . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 13' ' ' PHE . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG13 ' CZ ' ' A' ' 18' ' ' PHE . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' MET . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.502 ' CB ' ' CG2' ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 79' ' ' TRP . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 57' ' ' GLY . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HD3' ' CA ' ' A' ' 57' ' ' GLY . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 39' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' CB ' ' A' ' 77' ' ' PRO . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.547 HG21 ' CD1' ' A' ' 18' ' ' PHE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 12' ' ' ILE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 75' ' ' VAL . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' HG12 ' A' ' 74' ' ' VAL . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.456 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.532 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HG ' ' N ' ' A' ' 47' ' ' PRO . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' THR . 19.2 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ASP . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.453 ' N ' ' HG ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' CB ' HG23 ' A' ' 63' ' ' VAL . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' CB ' ' A' ' 56' ' ' ALA . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' PHE . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 5.3 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG23 ' NH2' ' A' ' 62' ' ' ARG . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' NH2' HG23 ' A' ' 61' ' ' ILE . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 76' ' ' LYS . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' N ' HG11 ' A' ' 75' ' ' VAL . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 18' ' ' PHE . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 21' ' ' MET . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.458 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG22 ' CG ' ' A' ' 18' ' ' PHE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 44' ' ' VAL . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 42' ' ' TYR . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' MET . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.461 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' HG13 ' A' ' 44' ' ' VAL . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.565 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 12' ' ' ILE . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' CD ' ' A' ' 17' ' ' GLU . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.441 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' N ' HG23 ' A' ' 51' ' ' THR . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' LYS . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 75' ' ' VAL . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' HG12 ' A' ' 75' ' ' VAL . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 13' ' ' PHE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ARG . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 55' ' ' ILE . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.418 ' O ' ' NZ ' ' A' ' 87' ' ' LYS . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 26.9 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.493 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 76' ' ' LYS . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.544 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HG ' ' N ' ' A' ' 47' ' ' PRO . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 80' ' ' LEU . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.47 ' ND2' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.534 ' N ' ' HG ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 55' ' ' ILE . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' N ' HG12 ' A' ' 54' ' ' VAL . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE3' ' A' ' 79' ' ' TRP . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.504 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -97.46 169.43 9.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -159.33 169.08 24.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 -104.0 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -97.39 80.83 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -54.38 147.55 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.37 55.47 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -79.81 142.32 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.535 HG23 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -147.03 125.84 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.46 133.75 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 161.0 0.19 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.17 27.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -92.71 -23.23 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.5 m -99.94 -42.14 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 11.6 pt-20 -53.51 -42.41 67.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 12.8 t60 -59.21 -43.24 92.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.04 -40.43 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.45 -46.07 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -61.51 -49.86 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -48.01 -45.64 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -50.34 -51.51 44.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -43.84 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -75.04 108.36 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.92 -142.82 47.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 42.46 50.04 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -112.94 -60.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 -50.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -48.08 129.1 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.494 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' THR . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' ILE . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.516 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 91' ' ' PRO . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.441 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.458 ' HE2' ' CG ' ' A' ' 100' ' ' MET . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -151.81 127.23 9.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.458 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 1.1 mpp? -138.26 140.69 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.96 161.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -18.43 36.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.4 t -84.33 -25.47 29.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.0 m -96.78 -36.03 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -57.49 -36.85 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 9.7 pt-20 -57.33 -41.8 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 79.9 t60 -58.18 -37.96 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.93 -33.73 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.31 -31.53 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -85.93 -13.13 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' TYR . 27.8 mm-40 -74.3 -50.43 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' GLU . 13.4 m-85 -35.09 -43.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -103.09 162.15 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -54.06 107.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.97 136.58 12.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -38.2 149.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -49.76 -50.79 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 127.49 1.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.26 144.15 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' HG13 ' A' ' 44' ' ' VAL . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.479 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 17' ' ' GLU . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m120 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.511 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -158.26 134.58 9.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -136.08 131.0 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 p -49.07 159.12 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -95.21 -26.12 16.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 m -94.79 -41.3 9.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -44.54 -36.43 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -48.68 -46.67 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.74 -45.53 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ALA . 13.5 m-85 -64.74 -42.98 94.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PHE . . . -37.39 -46.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 110' ' ' ARG . 16.3 mtp-105 -62.95 -48.16 80.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -51.04 56.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -40.16 -51.92 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -109.59 160.45 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -133.87 169.9 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.52 -125.72 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -171.39 135.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 166.51 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 82.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.71 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 27' ' ' GLN . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' ' CG ' ' A' ' 31' ' ' ASP . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 80' ' ' LEU . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 HG22 ' ND2' ' A' ' 65' ' ' ASN . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.457 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' C ' HG22 ' A' ' 75' ' ' VAL . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 76' ' ' LYS . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG11 ' A' ' 75' ' ' VAL . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 36' ' ' ILE . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 2.2 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 62.1 t60 -132.17 80.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.6 mtp -86.54 111.39 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 m -44.0 162.91 0.19 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -9.57 26.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 106' ' ' GLU . 37.3 t -90.75 -26.01 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.0 m -95.22 -30.48 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -66.54 -55.41 15.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -39.43 -54.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -51.42 -46.93 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.93 -41.84 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.3 62.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 10.1 ptt180 -79.18 -33.1 44.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 5.5 mm-40 -47.13 -43.98 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLU . 16.9 m-85 -37.57 -48.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -96.81 110.43 22.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -124.9 99.89 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -149.11 -157.17 7.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -44.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 84.4 p -83.09 78.73 9.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.18 40.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -41.13 123.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 39' ' ' PHE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.549 HD12 ' CE1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CE1' HD12 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.471 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ARG . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 99' ' ' HIS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 4.4 m120 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.438 ' CD2' HG23 ' A' ' 67' ' ' ILE . 72.7 t60 -141.58 105.23 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.426 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 19.1 mtm -99.39 127.33 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.56 161.4 0.4 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.644 0.735 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -12.45 33.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -94.6 -25.26 16.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 m -98.47 -31.82 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.57 -41.1 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.6 pt-20 -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.9 t60 -59.93 -40.16 87.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.41 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -74.43 -41.22 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' TYR . 15.4 mm-40 -45.2 -52.57 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLU . 3.9 m-85 -37.4 -48.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -95.84 148.61 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -150.88 177.23 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.25 125.13 2.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -112.51 -3.23 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m -102.88 138.23 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.88 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -45.69 141.7 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD13 ' CZ ' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.472 ' CZ ' HD13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' ' CD1' ' A' ' 98' ' ' ILE . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 75' ' ' VAL . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.474 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' ALA . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -163.34 105.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -102.86 164.71 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.92 160.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.27 20.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.9 t -95.4 -28.38 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -90.83 -43.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.6 -34.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -51.27 -51.51 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -54.11 -47.21 72.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.99 -38.69 89.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -45.58 -42.58 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -59.43 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.88 -43.99 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -56.62 -42.69 79.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -97.01 176.77 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 p -174.14 171.69 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 152.14 18.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.12 133.02 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -148.05 146.42 28.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.25 72.9 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -54.25 136.81 42.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 42' ' ' TYR . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' CG ' HG22 ' A' ' 43' ' ' ILE . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 HG12 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.443 ' CE3' HG12 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.546 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.546 ' HE1' ' CZ3' ' A' ' 92' ' ' TRP . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -151.69 127.51 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.04 129.88 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.59 159.26 0.26 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -7.64 21.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -94.89 -17.0 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.6 m -98.42 -37.78 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -52.5 -30.1 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.53 -43.87 89.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -60.61 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' GLU . 8.7 m-85 -61.53 -45.83 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -37.38 -45.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -55.65 -44.24 76.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' PHE . 37.9 mt-10 -63.97 -48.28 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -40.29 -44.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -89.23 102.31 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -51.32 152.33 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 133.0 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 p -112.14 154.47 25.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.76 160.63 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.33 79.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.24 134.68 45.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD11 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD2' ' SG ' ' A' ' 53' ' ' CYS . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 52' ' ' TYR . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.5 t30 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -146.45 131.61 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -137.61 136.65 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.1 m -44.53 160.61 0.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.728 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.73 26.84 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -94.49 -24.13 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 m -98.94 -34.48 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -44.81 91.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.6 pt-20 -47.71 -43.31 26.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 82.2 t60 -59.39 -31.03 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -77.1 -43.16 35.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.97 -27.76 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -85.91 -30.83 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' TYR . 2.4 mm-40 -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLU . 11.0 m-85 -35.93 -53.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.888 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -172.78 147.8 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -83.68 -47.38 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 -117.6 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -83.04 130.97 35.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -86.96 122.64 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 71.7 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.9 144.2 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.443 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' CD1' ' A' ' 18' ' ' PHE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 52' ' ' TYR . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' N ' HG22 ' A' ' 51' ' ' THR . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' VAL . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' VAL . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 79' ' ' TRP . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.458 ' CE3' HG13 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.414 ' CZ3' ' HE2' ' A' ' 97' ' ' MET . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.414 ' HE2' ' CZ3' ' A' ' 92' ' ' TRP . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 40.5 t60 -134.75 73.5 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 mtt -52.87 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.83 162.11 28.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.8 27.01 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 t -95.79 -24.21 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' HIS . 15.7 m -100.22 -53.13 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 10.4 pt-20 -68.76 -42.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.7 t60 -58.66 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -47.22 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -43.64 -53.4 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -63.31 -46.26 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.64 -48.49 49.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -57.86 -45.88 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.36 123.94 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -149.58 143.61 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.808 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.6 162.22 26.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.93 153.87 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -119.36 137.64 53.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 44.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -83.96 139.03 32.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.44 ' HB2' ' CD2' ' A' ' 39' ' ' PHE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD12 ' CZ ' ' A' ' 13' ' ' PHE . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.507 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' CD2' ' A' ' 32' ' ' LEU . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.494 ' CZ3' ' HE1' ' A' ' 97' ' ' MET . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.494 ' HE1' ' CZ3' ' A' ' 92' ' ' TRP . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 28.6 t60 -135.06 76.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.8 135.43 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.39 163.54 25.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.76 31.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.399 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t -96.23 -26.46 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 106' ' ' GLU . 26.0 m -94.22 -56.39 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' THR . 30.6 tttt -33.85 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.1 mm-40 -61.28 -52.38 64.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' THR . 7.5 t60 -57.08 -50.03 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.41 -41.89 90.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.95 93.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 15.6 mtp-105 -66.48 -45.96 77.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.85 -54.84 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -42.97 -43.0 3.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 60.97 39.76 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -155.16 162.0 41.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.51 52.27 49.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.16 114.5 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -126.39 98.2 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.43 77.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -88.66 144.73 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 53.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.409 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.465 HG23 ' NE1' ' A' ' 92' ' ' TRP . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.514 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -148.56 130.74 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.86 134.76 47.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -40.09 160.87 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -95.43 -29.03 14.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -91.72 -38.8 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -56.85 -44.4 82.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 7.9 pt-20 -51.52 -40.95 60.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 86.4 t60 -57.28 -49.09 77.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.58 -30.14 8.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -68.22 -38.14 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -74.21 -43.39 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -39.44 -53.55 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -83.39 132.32 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -162.11 126.31 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 52.77 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -127.52 131.5 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -110.0 172.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.43 80.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.58 128.02 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 13' ' ' PHE . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG13 ' CZ ' ' A' ' 18' ' ' PHE . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' MET . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.502 ' CB ' ' CG2' ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG11 ' CE3' ' A' ' 79' ' ' TRP . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 57' ' ' GLY . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HD3' ' CA ' ' A' ' 57' ' ' GLY . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -146.87 110.04 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.7 136.95 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.58 161.16 0.11 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -15.08 36.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.4 t -92.75 -27.47 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.8 m -93.11 -45.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -50.54 -42.6 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 6.1 pt-20 -55.16 -43.37 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 77.0 t60 -57.17 -40.41 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.36 -48.14 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.92 29.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -74.57 -46.86 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' TYR . 17.5 mm-40 -38.31 -45.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' GLU . 5.3 m-85 -34.56 -54.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 113' ' ' ASP . 15.4 p30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -128.89 144.24 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -73.52 -55.65 6.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.13 -165.47 29.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -82.61 171.87 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.782 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.45 120.77 41.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.73 92.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm -61.09 144.07 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 39' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.48 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD12 ' CB ' ' A' ' 77' ' ' PRO . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.547 HG21 ' CD1' ' A' ' 18' ' ' PHE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.501 ' CD1' HD11 ' A' ' 12' ' ' ILE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 75' ' ' VAL . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' HG12 ' A' ' 74' ' ' VAL . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.456 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.532 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.532 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.46 ' HE1' ' CG ' ' A' ' 100' ' ' MET . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -149.44 139.25 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.46 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 1.6 mpp? -139.07 164.96 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.38 160.91 71.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.41 36.12 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.7 m -94.86 -14.57 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -101.5 -36.78 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.11 -35.21 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -52.0 -43.77 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.64 -30.68 46.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.27 89.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 15.4 ptm180 -80.44 -40.88 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 3.4 mm-40 -46.02 -55.67 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -46.14 -51.27 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p 37.93 41.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -60.62 -48.43 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.36 -71.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -148.91 154.57 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -82.83 118.25 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.26 55.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -73.49 144.36 46.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' GLU . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HG ' ' N ' ' A' ' 47' ' ' PRO . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' THR . 19.2 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HB2' ' HD2' ' A' ' 30' ' ' PRO . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ASP . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' GLU . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' N ' ' HG ' ' A' ' 19' ' ' CYS . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' CB ' HG23 ' A' ' 63' ' ' VAL . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' CB ' ' A' ' 56' ' ' ALA . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' PHE . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 5.3 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -144.88 132.01 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -140.9 130.13 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -40.58 158.85 0.16 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.13 35.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.6 p -90.12 -28.12 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.6 m -85.03 -42.2 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -46.54 -39.5 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -45.2 -40.19 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.91 -29.31 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.42 74.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -76.79 -33.18 58.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.5 -47.53 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -42.4 -47.89 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -115.56 165.58 12.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -101.38 -4.92 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.12 174.87 45.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 p -129.94 -38.4 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -81.42 132.21 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -56.71 140.69 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.487 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG23 ' NH2' ' A' ' 62' ' ' ARG . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' NH2' HG23 ' A' ' 61' ' ' ILE . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 76' ' ' LYS . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' N ' HG11 ' A' ' 75' ' ' VAL . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.98 112.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.1 152.23 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.05 160.7 45.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.52 23.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.2 t -95.16 -20.26 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.1 m -99.26 -32.19 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.71 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.7 pt-20 -52.6 -35.05 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 25.5 t60 -63.19 -47.37 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.98 -40.58 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.9 -28.43 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -74.63 -49.33 21.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 112' ' ' TYR . 53.9 mm-40 -50.85 -54.48 23.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' GLU . 9.8 m-85 -34.93 -53.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -145.79 122.92 11.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -151.1 127.95 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.61 86.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -152.41 153.39 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -157.66 147.73 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.75 70.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -75.72 139.48 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 18' ' ' PHE . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 21' ' ' MET . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.458 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG22 ' CG ' ' A' ' 18' ' ' PHE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' CE2' HG12 ' A' ' 44' ' ' VAL . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 42' ' ' TYR . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 21' ' ' MET . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.472 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -142.69 108.55 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.3 mtm -108.65 133.8 52.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.87 158.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.3 p -93.88 -24.17 17.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 107' ' ' HIS . 27.8 m -89.87 -47.82 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' THR . 26.8 tttt -36.23 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.04 -50.89 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' THR . 16.1 t60 -51.6 -50.09 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -58.71 -41.17 85.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.8 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -54.49 -42.22 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.46 -49.23 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -42.86 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -148.01 145.54 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -72.87 -45.19 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.24 142.47 3.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -165.45 134.23 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -111.76 147.08 36.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.07 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -91.43 137.97 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' HG13 ' A' ' 44' ' ' VAL . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.565 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CD2' HD13 ' A' ' 12' ' ' ILE . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG13 ' CD ' ' A' ' 17' ' ' GLU . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.441 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' N ' HG23 ' A' ' 51' ' ' THR . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' LYS . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 75' ' ' VAL . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.564 ' CE3' HG12 ' A' ' 75' ' ' VAL . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -142.07 120.23 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.482 ' HE1' ' CG ' ' A' ' 108' ' ' PHE . 15.6 mtm -118.9 122.9 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.65 160.14 0.49 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 75.5 p -94.63 -30.19 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.5 m -91.2 -40.0 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -40.97 -47.06 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.62 -45.66 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CG ' ' HE1' ' A' ' 100' ' ' MET . 14.7 m-85 -78.84 -56.01 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -38.56 -43.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -61.22 -51.58 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -48.49 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -46.69 -54.44 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -81.47 140.28 34.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -101.5 4.25 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.05 -66.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -106.78 86.23 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.23 124.33 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.37 73.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -52.75 142.13 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 13' ' ' PHE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ARG . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 55' ' ' ILE . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.418 ' O ' ' NZ ' ' A' ' 87' ' ' LYS . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.402 ' CB ' ' CG ' ' A' ' 100' ' ' MET . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 26.9 t60 -134.71 77.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.402 ' CG ' ' CB ' ' A' ' 97' ' ' MET . 11.9 mtp -80.46 112.31 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -43.16 161.12 0.2 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -11.37 30.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -92.07 -14.29 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.8 m -93.98 -44.58 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -49.43 -34.84 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.01 -54.18 49.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -52.53 -47.21 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.82 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.64 94.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -59.91 -39.72 86.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.34 -59.28 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -39.89 -53.78 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -57.68 -49.59 76.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -82.92 164.33 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 -121.57 5.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -167.08 159.15 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -104.89 9.12 34.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.27 57.2 4.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? -84.85 142.76 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 16' ' ' VAL . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.51 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.493 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.432 ' HE2' ' CG ' ' A' ' 100' ' ' MET . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 76' ' ' LYS . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -153.21 136.45 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.432 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 0.5 OUTLIER -135.38 143.5 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.31 161.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.8 m -92.22 -26.28 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 m -97.46 -27.14 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.22 -53.38 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.18 -49.67 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -51.53 -43.07 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' GLU . 12.0 m-85 -68.09 -41.95 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -42.72 -29.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 14.9 mtp-105 -75.07 -38.82 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' PHE . 21.4 mm-40 -63.8 -47.87 79.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' GLU . 23.6 m-85 -36.81 -42.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -78.47 146.25 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -98.41 154.07 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.27 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -68.45 83.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -89.24 43.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.47 111.53 4.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -49.71 138.86 13.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.544 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CZ ' HG11 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' HG ' ' N ' ' A' ' 47' ' ' PRO . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 80' ' ' LEU . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.47 ' ND2' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.534 ' N ' ' HG ' ' A' ' 19' ' ' CYS . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 55' ' ' ILE . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' N ' HG12 ' A' ' 54' ' ' VAL . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 62' ' ' ARG . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.459 HG12 ' CE3' ' A' ' 79' ' ' TRP . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.504 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.567 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -138.95 120.55 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.557 ' CE ' ' CE2' ' A' ' 108' ' ' PHE . 20.0 mtm -122.28 126.05 47.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 p -51.42 156.81 1.92 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.23 18.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -95.24 -17.21 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.1 m -98.81 -38.69 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -48.58 -29.13 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.48 -47.83 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -60.11 -41.04 91.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.557 ' CE2' ' CE ' ' A' ' 100' ' ' MET . 6.8 m-85 -64.82 -52.42 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.7 -29.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -74.71 -48.37 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -49.02 -45.19 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -47.62 -45.31 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 14' ' ' GLU . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' A' ' 43' ' ' ILE . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 21' ' ' MET . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 54' ' ' VAL . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 21' ' ' MET . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' HD11 ' A' ' 98' ' ' ILE . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 32' ' ' LEU . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 90' ' ' VAL . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 82' ' ' GLU . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 76' ' ' LYS . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.665 ' HB2' HD13 ' A' ' 43' ' ' ILE . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.768 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.752 ' OE1' HD21 ' A' ' 81' ' ' LEU . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 18' ' ' PHE . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 18' ' ' PHE . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.643 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.768 HG13 ' SD ' ' A' ' 21' ' ' MET . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 HG21 HD13 ' A' ' 32' ' ' LEU . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 61' ' ' ILE . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.643 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' OE1' ' A' ' 27' ' ' GLN . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HB3' HG21 ' A' ' 90' ' ' VAL . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' HD2' HD23 ' A' ' 81' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 82' ' ' GLU . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.798 ' HB2' HD13 ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.542 HG21 ' SG ' ' A' ' 19' ' ' CYS . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 ' SG ' ' A' ' 19' ' ' CYS . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 61' ' ' ILE . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 68' ' ' LEU . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' A' ' 97' ' ' MET . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 98' ' ' ILE . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 HD12 HD13 ' A' ' 32' ' ' LEU . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' THR . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 82' ' ' GLU . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 82' ' ' GLU . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HG22 ' A' ' 75' ' ' VAL . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 76' ' ' LYS . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.629 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' OE2' HG13 ' A' ' 44' ' ' VAL . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 43' ' ' ILE . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.736 HG13 ' OE2' ' A' ' 17' ' ' GLU . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.67 HG23 ' OE1' ' A' ' 17' ' ' GLU . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 51' ' ' THR . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' SG ' ' A' ' 19' ' ' CYS . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.491 HG21 HD13 ' A' ' 32' ' ' LEU . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' HD12 ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG21 ' HB1' ' A' ' 56' ' ' ALA . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' SD ' ' A' ' 97' ' ' MET . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.52 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.518 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' THR . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' GLU . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 4.8 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' HG22 ' A' ' 75' ' ' VAL . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 99' ' ' HIS . 62.1 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.698 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 43' ' ' ILE . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' PHE . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG13 ' SD ' ' A' ' 21' ' ' MET . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 80' ' ' LEU . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG21 HG21 ' A' ' 54' ' ' VAL . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' LYS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 12.9 m-80 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 47' ' ' PRO . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 97' ' ' MET . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HE1' HG13 ' A' ' 90' ' ' VAL . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.591 HD11 HG13 ' A' ' 55' ' ' ILE . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 86' ' ' THR . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 82' ' ' GLU . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' HG21 ' A' ' 51' ' ' THR . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 80' ' ' LEU . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' HB ' HD11 ' A' ' 43' ' ' ILE . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 18' ' ' PHE . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' SG ' ' A' ' 19' ' ' CYS . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HH ' ' HZ ' ' A' ' 89' ' ' PHE . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG22 ' SG ' ' A' ' 19' ' ' CYS . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.492 HG23 ' NE2' ' A' ' 99' ' ' HIS . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 98' ' ' ILE . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 32' ' ' LEU . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 82' ' ' GLU . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HZ ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 76' ' ' LYS . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.492 ' NE2' HG23 ' A' ' 67' ' ' ILE . 28.6 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HB2' HD13 ' A' ' 43' ' ' ILE . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 80' ' ' LEU . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' A' ' 20' ' ' VAL . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.69 ' HB ' HD11 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.69 HD11 ' HB ' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 42' ' ' TYR . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 66' ' ' ILE . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.588 HG11 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HG2' HD11 ' A' ' 98' ' ' ILE . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CE3' HG11 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 32' ' ' LEU . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 90' ' ' VAL . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' HG2' ' A' ' 76' ' ' LYS . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 12' ' ' ILE . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' OG ' ' A' ' 10' ' ' SER . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.49 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.646 HG21 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' HD13 ' A' ' 43' ' ' ILE . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 36' ' ' ILE . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 52' ' ' TYR . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' N ' HG22 ' A' ' 51' ' ' THR . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 66' ' ' ILE . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.454 HD13 ' HB ' ' A' ' 75' ' ' VAL . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.5 t30 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.757 ' CD1' HD13 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD23 ' HD2' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 90' ' ' VAL . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HD2' HD23 ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' A' ' 43' ' ' ILE . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HD11 ' A' ' 81' ' ' LEU . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' HB ' HD11 ' A' ' 43' ' ' ILE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 18' ' ' PHE . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG23 ' CE1' ' A' ' 72' ' ' HIS . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.645 HD13 ' HB ' ' A' ' 75' ' ' VAL . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.855 ' CE1' HG23 ' A' ' 54' ' ' VAL . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' SD ' ' A' ' 97' ' ' MET . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 75' ' ' VAL . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.624 ' CE3' HG11 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.729 ' SD ' HG22 ' A' ' 75' ' ' VAL . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 40.5 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 12' ' ' ILE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 10' ' ' SER . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.877 ' HB2' HD13 ' A' ' 43' ' ' ILE . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.501 ' HE3' ' HD3' ' A' ' 47' ' ' PRO . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' CG ' ' A' ' 18' ' ' PHE . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD3' ' HE3' ' A' ' 21' ' ' MET . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.725 HG13 HD11 ' A' ' 80' ' ' LEU . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.432 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.504 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.725 HD11 HG13 ' A' ' 55' ' ' ILE . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 90' ' ' VAL . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 28.6 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 16' ' ' VAL . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HD21 ' A' ' 81' ' ' LEU . 21.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 77' ' ' PRO . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' PHE . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 66' ' ' ILE . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 80' ' ' LEU . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.6 HG21 HG21 ' A' ' 54' ' ' VAL . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' SD ' ' A' ' 97' ' ' MET . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG3' HD11 ' A' ' 98' ' ' ILE . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.528 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 55' ' ' ILE . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' THR . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.491 HG13 ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.554 HD11 ' HG3' ' A' ' 76' ' ' LYS . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HA ' ' A' ' 88' ' ' SER . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 55' ' ' ILE . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD13 HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 18' ' ' PHE . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 66' ' ' ILE . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.612 HG21 HD13 ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' CA ' ' HD3' ' A' ' 77' ' ' PRO . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.496 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' HB1' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.671 HG22 ' SD ' ' A' ' 97' ' ' MET . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' HD11 ' A' ' 98' ' ' ILE . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.568 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.808 HD12 HD13 ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 86' ' ' THR . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 82' ' ' GLU . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.402 ' NH1' ' HB2' ' A' ' 95' ' ' ARG . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.448 HD11 ' HG2' ' A' ' 76' ' ' LYS . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' OE1' HD11 ' A' ' 81' ' ' LEU . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' A' ' 36' ' ' ILE . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.446 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 98' ' ' ILE . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' SD ' ' A' ' 97' ' ' MET . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' OE1' ' A' ' 27' ' ' GLN . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 86' ' ' THR . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 75' ' ' VAL . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.651 HD12 HG12 ' A' ' 74' ' ' VAL . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.766 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.62 HE22 HD11 ' A' ' 81' ' ' LEU . 35.4 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.766 HD13 ' HB2' ' A' ' 18' ' ' PHE . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 18' ' ' PHE . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 66' ' ' ILE . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.62 HD11 HE22 ' A' ' 27' ' ' GLN . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' VAL . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 75' ' ' VAL . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 43' ' ' ILE . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 43' ' ' ILE . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 HD11 ' A' ' 80' ' ' LEU . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 56' ' ' ALA . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 98' ' ' ILE . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 55' ' ' ILE . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB3' HG21 ' A' ' 90' ' ' VAL . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' GLU . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' ' 82' ' ' GLU . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.426 HD12 HG12 ' A' ' 74' ' ' VAL . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 14' ' ' GLU . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 43' ' ' ILE . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.917 ' SG ' HG22 ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HB ' ' A' ' 55' ' ' ILE . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.48 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 43' ' ' ILE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' A' ' 18' ' ' PHE . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 19' ' ' CYS . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.917 HG22 ' SG ' ' A' ' 19' ' ' CYS . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG13 HD11 ' A' ' 80' ' ' LEU . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 62' ' ' ARG . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 32' ' ' LEU . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.834 ' HB3' HG21 ' A' ' 90' ' ' VAL . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' HG21 ' A' ' 9' ' ' ILE . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 82' ' ' GLU . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.905 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG22 ' HB ' ' A' ' 55' ' ' ILE . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 77' ' ' PRO . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.905 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.569 HG13 HD11 ' A' ' 80' ' ' LEU . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 67' ' ' ILE . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 63' ' ' VAL . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.525 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 55' ' ' ILE . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.583 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 91' ' ' PRO . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.411 ' SD ' HG22 ' A' ' 75' ' ' VAL . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 43' ' ' ILE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 29' ' ' LYS . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.732 ' OE1' HD21 ' A' ' 81' ' ' LEU . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 80' ' ' LEU . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 80' ' ' LEU . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.448 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 49' ' ' PRO . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 48' ' ' GLY . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG13 ' SD ' ' A' ' 21' ' ' MET . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG13 HD11 ' A' ' 80' ' ' LEU . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG21 ' HB1' ' A' ' 56' ' ' ALA . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' OE1' ' A' ' 27' ' ' GLN . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.637 ' HB3' HG21 ' A' ' 90' ' ' VAL . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 81' ' ' LEU . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.637 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 26.9 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.767 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 80' ' ' LEU . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 19' ' ' CYS . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 51' ' ' THR . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' ILE . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 75' ' ' VAL . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.696 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 HD12 ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 55' ' ' ILE . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.553 ' NE1' HG13 ' A' ' 90' ' ' VAL . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 32' ' ' LEU . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' THR . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.553 HG13 ' NE1' ' A' ' 79' ' ' TRP . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 74' ' ' VAL . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 13' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 32' ' ' LEU . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.742 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 55' ' ' ILE . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HD3' ' HE1' ' A' ' 21' ' ' MET . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG13 ' SD ' ' A' ' 21' ' ' MET . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 32' ' ' LEU . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 77' ' ' PRO . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HA ' HD13 ' A' ' 66' ' ' ILE . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 65' ' ' ASN . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.697 ' HG2' HD11 ' A' ' 98' ' ' ILE . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' THR . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 82' ' ' GLU . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.697 HD11 ' HG2' ' A' ' 76' ' ' LYS . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -97.46 169.43 9.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -159.33 169.08 24.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 -104.0 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -97.39 80.83 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -54.38 147.55 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.37 55.47 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -79.81 142.32 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 14' ' ' GLU . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' A' ' 43' ' ' ILE . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 21' ' ' MET . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 54' ' ' VAL . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 21' ' ' MET . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' HD11 ' A' ' 98' ' ' ILE . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 32' ' ' LEU . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 90' ' ' VAL . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 82' ' ' GLU . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 76' ' ' LYS . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -147.03 125.84 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.46 133.75 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 161.0 0.19 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.17 27.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -92.71 -23.23 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.5 m -99.94 -42.14 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 11.6 pt-20 -53.51 -42.41 67.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 6.3 t-80 -59.21 -43.24 92.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.04 -40.43 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.45 -46.07 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -61.51 -49.86 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -48.01 -45.64 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -50.34 -51.51 44.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -43.84 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -75.04 108.36 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.92 -142.82 47.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 42.46 50.04 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -112.94 -60.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 -50.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -48.08 129.1 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.665 ' HB2' HD13 ' A' ' 43' ' ' ILE . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.768 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.752 ' OE1' HD21 ' A' ' 81' ' ' LEU . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 18' ' ' PHE . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 18' ' ' PHE . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.643 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.768 HG13 ' SD ' ' A' ' 21' ' ' MET . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HG21 HD13 ' A' ' 32' ' ' LEU . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 61' ' ' ILE . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.643 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' OE1' ' A' ' 27' ' ' GLN . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HB3' HG21 ' A' ' 90' ' ' VAL . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' HD2' HD23 ' A' ' 81' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 82' ' ' GLU . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -151.81 127.23 9.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -138.26 140.69 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.96 161.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -18.43 36.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.4 t -84.33 -25.47 29.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.0 m -96.78 -36.03 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -57.49 -36.85 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 9.7 pt-20 -57.33 -41.8 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 79.9 t60 -58.18 -37.96 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.93 -33.73 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.31 -31.53 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -85.93 -13.13 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' TYR . 27.8 mm-40 -74.3 -50.43 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' GLU . 13.4 m-85 -35.09 -43.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -103.09 162.15 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -54.06 107.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.97 136.58 12.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -38.2 149.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -49.76 -50.79 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 127.49 1.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.26 144.15 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.798 ' HB2' HD13 ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.542 HG21 ' SG ' ' A' ' 19' ' ' CYS . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 ' SG ' ' A' ' 19' ' ' CYS . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 61' ' ' ILE . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 68' ' ' LEU . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' A' ' 97' ' ' MET . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 98' ' ' ILE . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD12 HD13 ' A' ' 32' ' ' LEU . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' THR . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 82' ' ' GLU . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 82' ' ' GLU . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HG22 ' A' ' 75' ' ' VAL . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 76' ' ' LYS . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -158.26 134.58 9.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -136.08 131.0 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 p -49.07 159.12 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -95.21 -26.12 16.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 m -94.79 -41.3 9.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -44.54 -36.43 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -48.68 -46.67 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.74 -45.53 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ALA . 13.5 m-85 -64.74 -42.98 94.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PHE . . . -37.39 -46.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 16.3 mtp-105 -62.95 -48.16 80.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -51.04 56.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -40.16 -51.92 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -109.59 160.45 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -133.87 169.9 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.52 -125.72 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -171.39 135.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 166.51 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 82.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.71 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.629 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' OE2' HG13 ' A' ' 44' ' ' VAL . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 43' ' ' ILE . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.736 HG13 ' OE2' ' A' ' 17' ' ' GLU . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.67 HG23 ' OE1' ' A' ' 17' ' ' GLU . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 51' ' ' THR . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' SG ' ' A' ' 19' ' ' CYS . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.491 HG21 HD13 ' A' ' 32' ' ' LEU . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' HD12 ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG21 ' HB1' ' A' ' 56' ' ' ALA . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' SD ' ' A' ' 97' ' ' MET . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.52 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.518 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' THR . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' GLU . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 4.8 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' HG22 ' A' ' 75' ' ' VAL . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 99' ' ' HIS . 62.1 t60 -132.17 80.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.6 mtp -86.54 111.39 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 m -44.0 162.91 0.19 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -9.57 26.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 106' ' ' GLU . 37.3 t -90.75 -26.01 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.0 m -95.22 -30.48 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -66.54 -55.41 15.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -39.43 -54.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -51.42 -46.93 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.93 -41.84 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.3 62.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 10.1 ptt180 -79.18 -33.1 44.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 5.5 mm-40 -47.13 -43.98 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLU . 16.9 m-85 -37.57 -48.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -96.81 110.43 22.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -124.9 99.89 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -149.11 -157.17 7.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -44.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 84.4 p -83.09 78.73 9.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.18 40.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -41.13 123.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.698 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 43' ' ' ILE . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' PHE . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG13 ' SD ' ' A' ' 21' ' ' MET . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 80' ' ' LEU . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG21 HG21 ' A' ' 54' ' ' VAL . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' LYS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 12.9 m-80 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 47' ' ' PRO . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 97' ' ' MET . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HE1' HG13 ' A' ' 90' ' ' VAL . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.591 HD11 HG13 ' A' ' 55' ' ' ILE . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 86' ' ' THR . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 82' ' ' GLU . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -141.58 105.23 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 19.1 mtm -99.39 127.33 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.56 161.4 0.4 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.644 0.735 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -12.45 33.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -94.6 -25.26 16.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 m -98.47 -31.82 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.57 -41.1 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.6 pt-20 -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.9 t60 -59.93 -40.16 87.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.41 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -74.43 -41.22 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' TYR . 15.4 mm-40 -45.2 -52.57 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLU . 3.9 m-85 -37.4 -48.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -95.84 148.61 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -150.88 177.23 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.25 125.13 2.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -112.51 -3.23 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m -102.88 138.23 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.88 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -45.69 141.7 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' HG21 ' A' ' 51' ' ' THR . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 80' ' ' LEU . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' HB ' HD11 ' A' ' 43' ' ' ILE . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 18' ' ' PHE . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' SG ' ' A' ' 19' ' ' CYS . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HH ' ' HZ ' ' A' ' 89' ' ' PHE . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG22 ' SG ' ' A' ' 19' ' ' CYS . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.492 HG23 ' NE2' ' A' ' 99' ' ' HIS . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 98' ' ' ILE . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 32' ' ' LEU . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 82' ' ' GLU . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HZ ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 76' ' ' LYS . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.492 ' NE2' HG23 ' A' ' 67' ' ' ILE . 28.6 t60 -163.34 105.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -102.86 164.71 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.92 160.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.27 20.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.9 t -95.4 -28.38 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -90.83 -43.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.6 -34.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 29.5 mt-10 -51.27 -51.51 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -54.11 -47.21 72.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.99 -38.69 89.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -45.58 -42.58 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -59.43 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.88 -43.99 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -56.62 -42.69 79.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -97.01 176.77 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 p -174.14 171.69 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 152.14 18.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.12 133.02 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -148.05 146.42 28.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.25 72.9 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -54.25 136.81 42.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HB2' HD13 ' A' ' 43' ' ' ILE . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 80' ' ' LEU . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' A' ' 20' ' ' VAL . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.69 ' HB ' HD11 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.69 HD11 ' HB ' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 42' ' ' TYR . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 66' ' ' ILE . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.588 HG11 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HG2' HD11 ' A' ' 98' ' ' ILE . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CE3' HG11 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 32' ' ' LEU . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 90' ' ' VAL . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' HG2' ' A' ' 76' ' ' LYS . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -151.69 127.51 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.04 129.88 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.59 159.26 0.26 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -7.64 21.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -94.89 -17.0 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.6 m -98.42 -37.78 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -52.5 -30.1 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.53 -43.87 89.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.61 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' GLU . 8.7 m-85 -61.53 -45.83 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -37.38 -45.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -55.65 -44.24 76.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' PHE . 37.9 mt-10 -63.97 -48.28 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -40.29 -44.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -89.23 102.31 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -51.32 152.33 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 133.0 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 p -112.14 154.47 25.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.76 160.63 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.33 79.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.24 134.68 45.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 12' ' ' ILE . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' OG ' ' A' ' 10' ' ' SER . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.49 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.646 HG21 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' HD13 ' A' ' 43' ' ' ILE . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 36' ' ' ILE . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 52' ' ' TYR . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' N ' HG22 ' A' ' 51' ' ' THR . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 66' ' ' ILE . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.454 HD13 ' HB ' ' A' ' 75' ' ' VAL . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.652 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.757 ' CD1' HD13 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD23 ' HD2' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 90' ' ' VAL . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HD2' HD23 ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -146.45 131.61 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -137.61 136.65 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.1 m -44.53 160.61 0.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.728 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.73 26.84 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -94.49 -24.13 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 m -98.94 -34.48 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -44.81 91.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.6 pt-20 -47.71 -43.31 26.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 82.2 t60 -59.39 -31.03 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -77.1 -43.16 35.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.97 -27.76 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 2.3 ptp180 -85.91 -30.83 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' TYR . 2.4 mm-40 -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLU . 11.0 m-85 -35.93 -53.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.888 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -172.78 147.8 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -83.68 -47.38 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 -117.6 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -83.04 130.97 35.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -86.96 122.64 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 71.7 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.9 144.2 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' A' ' 43' ' ' ILE . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HD11 ' A' ' 81' ' ' LEU . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' HB ' HD11 ' A' ' 43' ' ' ILE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 18' ' ' PHE . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG23 ' CE1' ' A' ' 72' ' ' HIS . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.645 HD13 ' HB ' ' A' ' 75' ' ' VAL . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.855 ' CE1' HG23 ' A' ' 54' ' ' VAL . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' SD ' ' A' ' 97' ' ' MET . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 75' ' ' VAL . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.624 ' CE3' HG11 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.729 ' SD ' HG22 ' A' ' 75' ' ' VAL . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 40.5 t60 -134.75 73.5 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 mtt -52.87 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.83 162.11 28.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.8 27.01 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 t -95.79 -24.21 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' HIS . 15.7 m -100.22 -53.13 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 10.4 pt-20 -68.76 -42.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.7 t60 -58.66 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -47.22 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -43.64 -53.4 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -63.31 -46.26 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.64 -48.49 49.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -57.86 -45.88 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.36 123.94 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -149.58 143.61 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.808 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.6 162.22 26.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.93 153.87 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -119.36 137.64 53.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 44.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -83.96 139.03 32.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 12' ' ' ILE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 10' ' ' SER . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.877 ' HB2' HD13 ' A' ' 43' ' ' ILE . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.501 ' HE3' ' HD3' ' A' ' 47' ' ' PRO . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' CG ' ' A' ' 18' ' ' PHE . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD3' ' HE3' ' A' ' 21' ' ' MET . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.725 HG13 HD11 ' A' ' 80' ' ' LEU . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.432 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.504 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.725 HD11 HG13 ' A' ' 55' ' ' ILE . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 90' ' ' VAL . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 28.6 t60 -135.06 76.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.8 135.43 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.39 163.54 25.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.76 31.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.399 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t -96.23 -26.46 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 106' ' ' GLU . 26.0 m -94.22 -56.39 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' THR . 30.6 tttt -33.85 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.1 mm-40 -61.28 -52.38 64.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' THR . 7.5 t60 -57.08 -50.03 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.41 -41.89 90.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.95 93.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 15.6 mtp-105 -66.48 -45.96 77.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.85 -54.84 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -42.97 -43.0 3.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 60.97 39.76 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -155.16 162.0 41.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.51 52.27 49.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.16 114.5 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -126.39 98.2 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.43 77.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -88.66 144.73 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 16' ' ' VAL . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HD21 ' A' ' 81' ' ' LEU . 21.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 77' ' ' PRO . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' PHE . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 66' ' ' ILE . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 80' ' ' LEU . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.6 HG21 HG21 ' A' ' 54' ' ' VAL . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' SD ' ' A' ' 97' ' ' MET . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG3' HD11 ' A' ' 98' ' ' ILE . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.528 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 55' ' ' ILE . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' THR . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.491 HG13 ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.554 HD11 ' HG3' ' A' ' 76' ' ' LYS . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -148.56 130.74 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.86 134.76 47.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -40.09 160.87 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -95.43 -29.03 14.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -91.72 -38.8 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -56.85 -44.4 82.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 7.9 pt-20 -51.52 -40.95 60.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 86.4 t60 -57.28 -49.09 77.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.58 -30.14 8.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -68.22 -38.14 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -74.21 -43.39 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -39.44 -53.55 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -83.39 132.32 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -162.11 126.31 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 52.77 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -127.52 131.5 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -110.0 172.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.43 80.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.58 128.02 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HA ' ' A' ' 88' ' ' SER . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 55' ' ' ILE . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD13 HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 18' ' ' PHE . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 66' ' ' ILE . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.612 HG21 HD13 ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' CA ' ' HD3' ' A' ' 77' ' ' PRO . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' HB1' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.671 HG22 ' SD ' ' A' ' 97' ' ' MET . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' HD11 ' A' ' 98' ' ' ILE . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.568 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.808 HD12 HD13 ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 86' ' ' THR . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 82' ' ' GLU . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' NH1' ' HB2' ' A' ' 95' ' ' ARG . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.448 HD11 ' HG2' ' A' ' 76' ' ' LYS . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -146.87 110.04 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.7 136.95 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.58 161.16 0.11 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -15.08 36.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.4 t -92.75 -27.47 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.8 m -93.11 -45.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -50.54 -42.6 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 6.1 pt-20 -55.16 -43.37 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.469 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 77.0 t60 -57.17 -40.41 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.36 -48.14 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.92 29.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -74.57 -46.86 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' TYR . 17.5 mm-40 -38.31 -45.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' GLU . 5.3 m-85 -34.56 -54.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' C ' ' OD1' ' A' ' 113' ' ' ASP . 15.4 p30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -128.89 144.24 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -73.52 -55.65 6.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.13 -165.47 29.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -82.61 171.87 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.782 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.45 120.77 41.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.73 92.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm -61.09 144.07 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' OE1' HD11 ' A' ' 81' ' ' LEU . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' A' ' 36' ' ' ILE . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.446 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 98' ' ' ILE . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' SD ' ' A' ' 97' ' ' MET . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' OE1' ' A' ' 27' ' ' GLN . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 86' ' ' THR . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 75' ' ' VAL . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.651 HD12 HG12 ' A' ' 74' ' ' VAL . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -149.44 139.25 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -139.07 164.96 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.38 160.91 71.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.41 36.12 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.7 m -94.86 -14.57 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -101.5 -36.78 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.11 -35.21 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -52.0 -43.77 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.64 -30.68 46.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.27 89.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 15.4 ptm180 -80.44 -40.88 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 3.4 mm-40 -46.02 -55.67 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -46.14 -51.27 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p 37.93 41.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -60.62 -48.43 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.36 -71.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -148.91 154.57 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -82.83 118.25 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.26 55.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -73.49 144.36 46.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.766 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.62 HE22 HD11 ' A' ' 81' ' ' LEU . 35.4 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.766 HD13 ' HB2' ' A' ' 18' ' ' PHE . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 18' ' ' PHE . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 66' ' ' ILE . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.62 HD11 HE22 ' A' ' 27' ' ' GLN . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' VAL . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.6 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 75' ' ' VAL . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -144.88 132.01 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -140.9 130.13 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -40.58 158.85 0.16 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.13 35.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.6 p -90.12 -28.12 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.6 m -85.03 -42.2 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -46.54 -39.5 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -45.2 -40.19 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.91 -29.31 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.42 74.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 9.8 ptt180 -76.79 -33.18 58.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 40.1 mt-10 -57.5 -47.53 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -42.4 -47.89 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -115.56 165.58 12.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -101.38 -4.92 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.12 174.87 45.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 p -129.94 -38.4 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -81.42 132.21 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -56.71 140.69 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 43' ' ' ILE . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 43' ' ' ILE . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 HD11 ' A' ' 80' ' ' LEU . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 56' ' ' ALA . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 98' ' ' ILE . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 55' ' ' ILE . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB3' HG21 ' A' ' 90' ' ' VAL . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' GLU . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' ' 82' ' ' GLU . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.426 HD12 HG12 ' A' ' 74' ' ' VAL . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.98 112.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.1 152.23 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.05 160.7 45.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.52 23.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.2 t -95.16 -20.26 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.1 m -99.26 -32.19 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.71 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.7 pt-20 -52.6 -35.05 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 25.5 t60 -63.19 -47.37 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.98 -40.58 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.9 -28.43 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -74.63 -49.33 21.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 112' ' ' TYR . 53.9 mm-40 -50.85 -54.48 23.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' GLU . 9.8 m-85 -34.93 -53.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -145.79 122.92 11.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -151.1 127.95 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.61 86.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -152.41 153.39 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -157.66 147.73 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.75 70.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -75.72 139.48 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 14' ' ' GLU . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 43' ' ' ILE . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.917 ' SG ' HG22 ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HB ' ' A' ' 55' ' ' ILE . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.48 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 43' ' ' ILE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' A' ' 18' ' ' PHE . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 19' ' ' CYS . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.917 HG22 ' SG ' ' A' ' 19' ' ' CYS . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG13 HD11 ' A' ' 80' ' ' LEU . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 62' ' ' ARG . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 32' ' ' LEU . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.834 ' HB3' HG21 ' A' ' 90' ' ' VAL . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' HG21 ' A' ' 9' ' ' ILE . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 82' ' ' GLU . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -142.69 108.55 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.3 mtm -108.65 133.8 52.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.87 158.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.3 p -93.88 -24.17 17.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 107' ' ' HIS . 27.8 m -89.87 -47.82 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' THR . 26.8 tttt -36.23 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.04 -50.89 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' THR . 16.1 t60 -51.6 -50.09 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -58.71 -41.17 85.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.8 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -54.49 -42.22 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.46 -49.23 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -42.86 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -148.01 145.54 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -72.87 -45.19 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.24 142.47 3.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -165.45 134.23 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -111.76 147.08 36.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.07 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -91.43 137.97 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.905 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG22 ' HB ' ' A' ' 55' ' ' ILE . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 77' ' ' PRO . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.905 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.569 HG13 HD11 ' A' ' 80' ' ' LEU . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 67' ' ' ILE . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 63' ' ' VAL . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.525 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 55' ' ' ILE . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.583 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 91' ' ' PRO . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.411 ' SD ' HG22 ' A' ' 75' ' ' VAL . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -142.07 120.23 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.426 ' SD ' ' CD1' ' A' ' 108' ' ' PHE . 15.6 mtm -118.9 122.9 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.65 160.14 0.49 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 75.5 p -94.63 -30.19 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.5 m -91.2 -40.0 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -40.97 -47.06 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.62 -45.66 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 100' ' ' MET . 14.7 m-85 -78.84 -56.01 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -38.56 -43.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -61.22 -51.58 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -48.49 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -46.69 -54.44 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -81.47 140.28 34.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -101.5 4.25 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.05 -66.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -106.78 86.23 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.23 124.33 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.37 73.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -52.75 142.13 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 43' ' ' ILE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 29' ' ' LYS . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.732 ' OE1' HD21 ' A' ' 81' ' ' LEU . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 80' ' ' LEU . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 80' ' ' LEU . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.448 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 49' ' ' PRO . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 48' ' ' GLY . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG13 ' SD ' ' A' ' 21' ' ' MET . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG13 HD11 ' A' ' 80' ' ' LEU . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG21 ' HB1' ' A' ' 56' ' ' ALA . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.465 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.442 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' OE1' ' A' ' 27' ' ' GLN . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.637 ' HB3' HG21 ' A' ' 90' ' ' VAL . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 81' ' ' LEU . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.637 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.402 ' CB ' ' CG ' ' A' ' 100' ' ' MET . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 99' ' ' HIS . 26.9 t60 -134.71 77.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.402 ' CG ' ' CB ' ' A' ' 97' ' ' MET . 11.9 mtp -80.46 112.31 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -43.16 161.12 0.2 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -11.37 30.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -92.07 -14.29 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.8 m -93.98 -44.58 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -49.43 -34.84 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.01 -54.18 49.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -52.53 -47.21 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.82 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.64 94.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -59.91 -39.72 86.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.34 -59.28 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -39.89 -53.78 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -57.68 -49.59 76.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -82.92 164.33 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 -121.57 5.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -167.08 159.15 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -104.89 9.12 34.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.27 57.2 4.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? -84.85 142.76 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.767 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 80' ' ' LEU . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 19' ' ' CYS . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 51' ' ' THR . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' ILE . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 75' ' ' VAL . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.696 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 HD12 ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 55' ' ' ILE . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.553 ' NE1' HG13 ' A' ' 90' ' ' VAL . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 32' ' ' LEU . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' THR . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.553 HG13 ' NE1' ' A' ' 79' ' ' TRP . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.422 ' HE2' ' CG ' ' A' ' 100' ' ' MET . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 74' ' ' VAL . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -153.21 136.45 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.422 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 0.5 OUTLIER -135.38 143.5 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.31 161.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.8 m -92.22 -26.28 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 m -97.46 -27.14 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.22 -53.38 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.18 -49.67 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -51.53 -43.07 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' GLU . 12.0 m-85 -68.09 -41.95 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -42.72 -29.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 14.9 mtp-105 -75.07 -38.82 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' PHE . 21.4 mm-40 -63.8 -47.87 79.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' GLU . 23.6 m-85 -36.81 -42.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -78.47 146.25 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -98.41 154.07 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.27 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -68.45 83.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -89.24 43.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.47 111.53 4.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -49.71 138.86 13.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 13' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 32' ' ' LEU . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.742 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 55' ' ' ILE . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HD3' ' HE1' ' A' ' 21' ' ' MET . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG13 ' SD ' ' A' ' 21' ' ' MET . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 32' ' ' LEU . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 77' ' ' PRO . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HA ' HD13 ' A' ' 66' ' ' ILE . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 65' ' ' ASN . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.697 ' HG2' HD11 ' A' ' 98' ' ' ILE . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' THR . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 82' ' ' GLU . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.697 HD11 ' HG2' ' A' ' 76' ' ' LYS . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -138.95 120.55 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.582 ' HE3' ' CD2' ' A' ' 108' ' ' PHE . 20.0 mtm -122.28 126.05 47.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 p -51.42 156.81 1.92 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.23 18.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -95.24 -17.21 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.1 m -98.81 -38.69 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -48.58 -29.13 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.48 -47.83 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -60.11 -41.04 91.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD2' ' HE3' ' A' ' 100' ' ' MET . 6.8 m-85 -64.82 -52.42 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.7 -29.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -74.71 -48.37 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -49.02 -45.19 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -47.62 -45.31 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 14' ' ' GLU . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' A' ' 43' ' ' ILE . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 21' ' ' MET . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 54' ' ' VAL . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 21' ' ' MET . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' HD11 ' A' ' 98' ' ' ILE . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 32' ' ' LEU . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 90' ' ' VAL . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 82' ' ' GLU . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 76' ' ' LYS . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.665 ' HB2' HD13 ' A' ' 43' ' ' ILE . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.768 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.752 ' OE1' HD21 ' A' ' 81' ' ' LEU . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 18' ' ' PHE . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 18' ' ' PHE . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.643 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.768 HG13 ' SD ' ' A' ' 21' ' ' MET . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 HG21 HD13 ' A' ' 32' ' ' LEU . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 61' ' ' ILE . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.643 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' OE1' ' A' ' 27' ' ' GLN . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HB3' HG21 ' A' ' 90' ' ' VAL . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' HD2' HD23 ' A' ' 81' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 82' ' ' GLU . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.4 t60 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.798 ' HB2' HD13 ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.542 HG21 ' SG ' ' A' ' 19' ' ' CYS . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 ' SG ' ' A' ' 19' ' ' CYS . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 61' ' ' ILE . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 68' ' ' LEU . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m120 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' A' ' 97' ' ' MET . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 98' ' ' ILE . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 HD12 HD13 ' A' ' 32' ' ' LEU . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' THR . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 82' ' ' GLU . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 82' ' ' GLU . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HG22 ' A' ' 75' ' ' VAL . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 76' ' ' LYS . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.3 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.629 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' OE2' HG13 ' A' ' 44' ' ' VAL . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 43' ' ' ILE . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.736 HG13 ' OE2' ' A' ' 17' ' ' GLU . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.67 HG23 ' OE1' ' A' ' 17' ' ' GLU . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 51' ' ' THR . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' SG ' ' A' ' 19' ' ' CYS . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.491 HG21 HD13 ' A' ' 32' ' ' LEU . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' HD12 ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG21 ' HB1' ' A' ' 56' ' ' ALA . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' SD ' ' A' ' 97' ' ' MET . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.52 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.518 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' THR . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' GLU . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 2.2 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' HG22 ' A' ' 75' ' ' VAL . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 62.1 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.698 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 43' ' ' ILE . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' PHE . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.698 HG13 ' SD ' ' A' ' 21' ' ' MET . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 80' ' ' LEU . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG21 HG21 ' A' ' 54' ' ' VAL . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 99' ' ' HIS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 4.4 m120 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 47' ' ' PRO . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 97' ' ' MET . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HE1' HG13 ' A' ' 90' ' ' VAL . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.591 HD11 HG13 ' A' ' 55' ' ' ILE . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 86' ' ' THR . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 82' ' ' GLU . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 67' ' ' ILE . 72.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' HG21 ' A' ' 51' ' ' THR . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 80' ' ' LEU . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' HB ' HD11 ' A' ' 43' ' ' ILE . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 18' ' ' PHE . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' SG ' ' A' ' 19' ' ' CYS . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HH ' ' HZ ' ' A' ' 89' ' ' PHE . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG22 ' SG ' ' A' ' 19' ' ' CYS . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.492 HG23 ' NE2' ' A' ' 99' ' ' HIS . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 98' ' ' ILE . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 32' ' ' LEU . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 82' ' ' GLU . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HZ ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 76' ' ' LYS . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.492 ' NE2' HG23 ' A' ' 67' ' ' ILE . 28.6 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HB2' HD13 ' A' ' 43' ' ' ILE . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 80' ' ' LEU . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' A' ' 20' ' ' VAL . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.69 ' HB ' HD11 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.69 HD11 ' HB ' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 42' ' ' TYR . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 66' ' ' ILE . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.588 HG11 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HG2' HD11 ' A' ' 98' ' ' ILE . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CE3' HG11 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 32' ' ' LEU . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 90' ' ' VAL . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' HG2' ' A' ' 76' ' ' LYS . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 12' ' ' ILE . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' OG ' ' A' ' 10' ' ' SER . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.49 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.646 HG21 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' HD13 ' A' ' 43' ' ' ILE . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 36' ' ' ILE . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 52' ' ' TYR . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' N ' HG22 ' A' ' 51' ' ' THR . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 66' ' ' ILE . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.454 HD13 ' HB ' ' A' ' 75' ' ' VAL . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.652 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.5 t30 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.757 ' CD1' HD13 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD23 ' HD2' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 90' ' ' VAL . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HD2' HD23 ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' A' ' 43' ' ' ILE . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HD11 ' A' ' 81' ' ' LEU . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' HB ' HD11 ' A' ' 43' ' ' ILE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 18' ' ' PHE . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG23 ' CE1' ' A' ' 72' ' ' HIS . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.645 HD13 ' HB ' ' A' ' 75' ' ' VAL . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.855 ' CE1' HG23 ' A' ' 54' ' ' VAL . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' SD ' ' A' ' 97' ' ' MET . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 75' ' ' VAL . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.624 ' CE3' HG11 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.729 ' SD ' HG22 ' A' ' 75' ' ' VAL . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 40.5 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 12' ' ' ILE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 10' ' ' SER . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.877 ' HB2' HD13 ' A' ' 43' ' ' ILE . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.501 ' HE3' ' HD3' ' A' ' 47' ' ' PRO . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' CG ' ' A' ' 18' ' ' PHE . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD3' ' HE3' ' A' ' 21' ' ' MET . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.725 HG13 HD11 ' A' ' 80' ' ' LEU . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.432 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.504 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.725 HD11 HG13 ' A' ' 55' ' ' ILE . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 90' ' ' VAL . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 28.6 t60 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 16' ' ' VAL . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 53.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 77' ' ' PRO . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' PHE . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 66' ' ' ILE . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 80' ' ' LEU . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.6 HG21 HG21 ' A' ' 54' ' ' VAL . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' SD ' ' A' ' 97' ' ' MET . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG3' HD11 ' A' ' 98' ' ' ILE . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.528 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 55' ' ' ILE . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' THR . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.491 HG13 ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.554 HD11 ' HG3' ' A' ' 76' ' ' LYS . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HA ' ' A' ' 88' ' ' SER . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 55' ' ' ILE . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD13 HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 18' ' ' PHE . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 66' ' ' ILE . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.612 HG21 HD13 ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' CA ' ' HD3' ' A' ' 77' ' ' PRO . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.496 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' HB1' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.671 HG22 ' SD ' ' A' ' 97' ' ' MET . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' HD11 ' A' ' 98' ' ' ILE . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.568 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.808 HD12 HD13 ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 86' ' ' THR . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 82' ' ' GLU . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.448 HD11 ' HG2' ' A' ' 76' ' ' LYS . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' OE1' HD11 ' A' ' 81' ' ' LEU . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' A' ' 36' ' ' ILE . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.446 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 98' ' ' ILE . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' SD ' ' A' ' 97' ' ' MET . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' OE1' ' A' ' 27' ' ' GLN . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 86' ' ' THR . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 75' ' ' VAL . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.651 HD12 HG12 ' A' ' 74' ' ' VAL . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.766 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 81' ' ' LEU . 19.2 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.766 HD13 ' HB2' ' A' ' 18' ' ' PHE . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 18' ' ' PHE . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 66' ' ' ILE . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.65 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.551 HD11 ' NE2' ' A' ' 27' ' ' GLN . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' VAL . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 5.3 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 75' ' ' VAL . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 43' ' ' ILE . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 43' ' ' ILE . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 HD11 ' A' ' 80' ' ' LEU . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 56' ' ' ALA . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.657 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 98' ' ' ILE . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 55' ' ' ILE . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB3' HG21 ' A' ' 90' ' ' VAL . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' GLU . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' ' 82' ' ' GLU . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.426 HD12 HG12 ' A' ' 74' ' ' VAL . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 14' ' ' GLU . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 43' ' ' ILE . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.917 ' SG ' HG22 ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HB ' ' A' ' 55' ' ' ILE . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.48 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 43' ' ' ILE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' A' ' 18' ' ' PHE . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 19' ' ' CYS . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.917 HG22 ' SG ' ' A' ' 19' ' ' CYS . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG13 HD11 ' A' ' 80' ' ' LEU . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 62' ' ' ARG . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 32' ' ' LEU . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.834 ' HB3' HG21 ' A' ' 90' ' ' VAL . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' HG21 ' A' ' 9' ' ' ILE . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 82' ' ' GLU . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.905 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG22 ' HB ' ' A' ' 55' ' ' ILE . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 77' ' ' PRO . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.905 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.569 HG13 HD11 ' A' ' 80' ' ' LEU . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 67' ' ' ILE . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 63' ' ' VAL . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.525 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 55' ' ' ILE . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.583 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 91' ' ' PRO . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.411 ' SD ' HG22 ' A' ' 75' ' ' VAL . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 43' ' ' ILE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 29' ' ' LYS . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.732 ' OE1' HD21 ' A' ' 81' ' ' LEU . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 80' ' ' LEU . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 80' ' ' LEU . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.448 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 49' ' ' PRO . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 48' ' ' GLY . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG13 ' SD ' ' A' ' 21' ' ' MET . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG13 HD11 ' A' ' 80' ' ' LEU . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' ND2' HG23 ' A' ' 63' ' ' VAL . 2.4 p-10 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' ND2' ' A' ' 60' ' ' ASN . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.465 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' OE1' ' A' ' 27' ' ' GLN . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.637 ' HB3' HG21 ' A' ' 90' ' ' VAL . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 81' ' ' LEU . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.637 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 26.9 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.767 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 80' ' ' LEU . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 19' ' ' CYS . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 51' ' ' THR . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' ILE . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 75' ' ' VAL . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.696 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 HD12 ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 55' ' ' ILE . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.553 ' NE1' HG13 ' A' ' 90' ' ' VAL . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 32' ' ' LEU . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' THR . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.553 HG13 ' NE1' ' A' ' 79' ' ' TRP . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 74' ' ' VAL . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 13' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 32' ' ' LEU . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.742 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 55' ' ' ILE . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.452 ' ND2' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HD2' ' ND2' ' A' ' 46' ' ' ASN . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG13 ' SD ' ' A' ' 21' ' ' MET . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 32' ' ' LEU . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 77' ' ' PRO . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HA ' HD13 ' A' ' 66' ' ' ILE . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.693 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 65' ' ' ASN . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.697 ' HG2' HD11 ' A' ' 98' ' ' ILE . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' THR . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 82' ' ' GLU . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.697 HD11 ' HG2' ' A' ' 76' ' ' LYS . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -97.46 169.43 9.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -159.33 169.08 24.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.59 -104.0 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -97.39 80.83 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -54.38 147.55 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.37 55.47 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -79.81 142.32 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -65.76 -43.7 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.4 m -154.57 175.39 13.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -120.84 19.46 11.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 pt -54.11 -37.06 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -97.53 22.61 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.773 ' O ' HG23 ' A' ' 16' ' ' VAL . 10.6 tt0 -53.66 136.18 39.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.7 p30 46.9 43.08 13.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 14' ' ' GLU . 60.9 t -126.7 117.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' OE2' ' CG1' ' A' ' 44' ' ' VAL . 1.1 tp10 -77.58 152.89 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' A' ' 43' ' ' ILE . 84.8 m-85 -147.08 136.46 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.43 110.64 12.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.4 t -98.93 125.82 52.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.506 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -97.55 -41.71 8.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -160.34 151.77 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.21 -153.84 11.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.8 p -125.89 -178.87 4.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.79 -68.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 m -44.56 -48.49 10.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -123.09 119.62 27.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.572 0.701 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.71 161.89 44.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.408 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 ttpt -46.61 -58.74 6.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.74 17.27 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 22.3 t70 -80.93 -53.99 5.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -71.28 -36.15 71.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -46.69 -47.3 20.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -68.65 -50.04 54.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 14.7 mmt180 -55.41 -64.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.482 HG21 ' CD1' ' A' ' 18' ' ' PHE . 98.0 mt -34.7 -60.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.37 -46.56 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 50.7 mt-10 -58.28 -25.81 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -94.33 23.41 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.26 45.52 54.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.6 158.89 18.26 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.38 136.57 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.96 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.2 mm -116.98 122.3 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG1' ' OE2' ' A' ' 17' ' ' GLU . 30.3 m -113.65 -174.96 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -105.91 -48.63 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -119.17 136.62 24.53 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.63 0.729 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.64 36.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.32 -157.98 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -21.56 33.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -109.7 44.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.8 m -125.33 129.95 50.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.21 -59.92 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -168.79 175.71 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' SD ' ' A' ' 21' ' ' MET . 98.3 t -109.54 152.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' N ' HG12 ' A' ' 54' ' ' VAL . 48.1 mm -120.78 109.19 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.53 122.34 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.94 -21.83 75.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -148.39 -176.7 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -93.36 124.34 37.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -131.77 178.47 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mm -55.28 -66.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -52.66 -58.13 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 21' ' ' MET . 46.9 t -43.07 -49.52 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 17.1 tttm -47.94 -62.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -37.86 -49.47 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.0 mp -60.72 -36.92 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 64' ' ' LYS . 71.3 mt -67.68 -47.71 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.8 mt -51.56 -46.83 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 m -58.23 -26.97 63.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.0 t30 50.75 43.41 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -111.47 -44.51 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -99.33 -179.88 4.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.95 139.94 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.31 141.18 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.1 t -136.5 149.83 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' HD11 ' A' ' 98' ' ' ILE . 80.8 mttt -71.36 149.07 93.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.74 -11.64 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.37 -48.77 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 26.8 t90 -43.01 -36.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 32' ' ' LEU . 18.9 mt -62.67 -41.57 99.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' PHE . 47.3 mt -56.55 -51.83 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.678 ' HB3' HG21 ' A' ' 90' ' ' VAL . 22.5 mm-40 -44.83 -31.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.0 m -80.37 -32.67 37.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 35' ' ' ARG . 24.2 m-85 -76.47 -29.44 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -82.18 -31.69 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -104.9 -7.29 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' CYS . 68.1 mmtt 50.84 43.17 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -148.9 164.29 34.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.04 90.11 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 82' ' ' GLU . 92.9 t -64.76 138.84 97.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.79 135.96 31.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -54.28 143.92 21.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 31.9 mt-30 -130.01 158.15 74.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -13.59 34.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.358 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -92.15 -21.87 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.1 m-85 -88.82 -47.34 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.1 mmm -68.37 134.15 49.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 76' ' ' LYS . 80.7 mt -105.41 -35.42 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -147.03 125.84 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.46 133.75 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 161.0 0.19 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.17 27.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 t -92.71 -23.23 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.5 m -99.94 -42.14 6.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 11.6 pt-20 -53.51 -42.41 67.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 12.8 t60 -59.21 -43.24 92.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.04 -40.43 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -46.45 -46.07 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -61.51 -49.86 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -48.01 -45.64 32.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -50.34 -51.51 44.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -81.51 -43.84 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -75.04 108.36 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.92 -142.82 47.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 42.46 50.04 4.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.0 110.888 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -112.94 -60.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.46 -50.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -48.08 129.1 14.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.736 0.303 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -54.18 -42.67 57.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 m -157.54 171.2 20.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -119.94 34.07 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 pt -69.09 -25.09 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -106.86 20.83 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.49 128.35 36.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.39 36.91 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -130.63 123.59 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.67 158.08 17.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.665 ' HB2' HD13 ' A' ' 43' ' ' ILE . 97.2 m-85 -144.05 144.65 31.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.415 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 2.4 t -130.1 102.11 6.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -93.17 131.56 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.768 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -102.64 -41.24 6.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -163.67 154.24 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -159.57 18.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.2 p -110.3 -178.42 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.7 p-10 -58.82 -57.18 14.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -63.27 -46.05 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.752 ' OE1' HD21 ' A' ' 81' ' ' LEU . 17.7 mt-30 -110.73 120.41 43.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.656 0.741 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -179.26 2.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.9 tttm -66.21 -58.55 10.41 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.566 0.698 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.82 8.02 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -66.8 -46.96 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -76.7 -42.16 42.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -42.29 -43.36 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -73.76 -46.7 44.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.11 -64.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG21 ' CD1' ' A' ' 18' ' ' PHE . 95.0 mt -38.86 -55.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.31 -46.74 47.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 68.0 mm-40 -60.75 -21.44 63.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -91.29 14.34 14.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.02 35.06 35.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.21 13.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -104.39 147.76 27.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.665 HD13 ' HB2' ' A' ' 18' ' ' PHE . 47.1 mm -129.15 131.86 67.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.6 m -126.42 -175.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -105.74 -45.37 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -115.52 136.45 22.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.597 0.713 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.419 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.4 Cg_endo -69.71 132.03 22.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.04 -157.51 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -20.32 35.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.718 2.279 . . . . 0.0 112.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.25 44.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.643 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 90.7 m -122.43 127.38 49.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.79 -52.78 55.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.5 p -171.97 174.82 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.768 HG13 ' SD ' ' A' ' 21' ' ' MET . 88.9 t -103.27 137.53 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 HG21 HD13 ' A' ' 32' ' ' LEU . 49.0 mm -110.0 109.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.69 124.55 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -76.65 -22.25 72.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -159.15 145.87 16.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.347 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.38 135.37 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -149.35 163.13 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 61' ' ' ILE . 16.3 mm -43.55 -66.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -47.62 -63.07 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 56.0 t -42.89 -47.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.9 tttp -48.49 -59.07 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -40.91 -41.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 2.8 mp -68.6 -37.75 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 89.1 mt -63.11 -49.5 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -51.76 -54.36 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -47.23 -36.64 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 37.4 t30 62.85 40.85 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -108.37 -38.48 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.643 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 2.0 m80 -115.47 -179.13 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -121.78 156.91 32.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.71 137.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -134.9 149.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -73.98 145.74 84.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.7 Cg_endo -69.76 -6.22 18.07 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.719 2.279 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -78.1 -48.31 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 8.3 t90 -39.16 -35.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 59.0 mt -65.87 -42.15 90.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' OE1' ' A' ' 27' ' ' GLN . 62.2 mt -55.03 -40.44 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.715 ' HB3' HG21 ' A' ' 90' ' ' VAL . 13.5 mt-10 -56.61 -21.19 25.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.7 m -93.36 -26.51 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' HD2' HD23 ' A' ' 81' ' ' LEU . 10.8 m-85 -76.17 -25.75 55.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -90.22 -34.55 15.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 p -100.45 -5.68 26.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.26 40.82 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -142.8 169.3 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -82.78 94.43 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.715 HG21 ' HB3' ' A' ' 82' ' ' GLU . 85.3 t -70.4 135.82 86.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.548 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.73 153.57 68.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -67.17 143.54 56.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 67.8 mt-30 -129.49 154.91 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -7.86 22.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -99.11 -20.9 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.5 m-85 -85.6 -39.44 17.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.1 mmm -74.33 152.26 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 46.0 mt -125.8 -28.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -151.81 127.23 9.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -138.26 140.69 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.96 161.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -18.43 36.66 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 45.4 t -84.33 -25.47 29.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.0 m -96.78 -36.03 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -57.49 -36.85 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 9.7 pt-20 -57.33 -41.8 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 79.9 t60 -58.18 -37.96 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.93 -33.73 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.31 -31.53 72.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -85.93 -13.13 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 112' ' ' TYR . 27.8 mm-40 -74.3 -50.43 18.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 111' ' ' GLU . 13.4 m-85 -35.09 -43.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -103.09 162.15 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -54.06 107.98 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.97 136.58 12.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -38.2 149.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -49.76 -50.79 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 127.49 1.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -70.26 144.15 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -71.82 -39.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -152.66 170.9 19.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -122.13 34.86 5.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.3 pt -71.9 -27.05 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -106.99 25.56 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.01 127.62 32.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.4 t70 66.38 27.53 9.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.9 t -118.1 122.94 70.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -88.49 149.01 23.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.798 ' HB2' HD13 ' A' ' 43' ' ' ILE . 77.5 m-85 -137.31 144.7 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.1 p -132.39 105.47 7.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.5 t -95.05 132.03 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.1 mmt -103.08 -44.56 5.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -160.12 153.29 21.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.35 -155.26 16.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 60.7 p -114.48 -176.43 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.203 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.36 -60.0 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -59.45 -46.95 87.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 31' ' ' ASP . 28.9 mp0 -111.79 123.24 35.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.569 0.7 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.79 -178.46 2.36 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 30.9 tttt -66.16 -59.01 9.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -64.72 -45.71 85.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -77.73 -42.91 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -42.38 -43.43 3.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -67.58 -53.43 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 52.3 mtt180 -59.25 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' ARG . 84.2 mt -35.07 -58.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.16 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.01 -26.58 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 23.4 m-85 -91.0 21.38 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.57 38.05 78.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.74 17.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -98.55 134.07 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.798 HD13 ' HB2' ' A' ' 18' ' ' PHE . 42.5 mm -115.84 122.98 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -113.32 -175.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.28 -45.84 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.92 138.15 28.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.738 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 137.49 35.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.687 2.258 . . . . 0.0 112.399 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.21 -159.99 8.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.73 28.12 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -104.55 42.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.542 HG21 ' SG ' ' A' ' 19' ' ' CYS . 31.7 m -122.05 147.17 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -79.03 -67.75 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.6 p -161.67 164.9 28.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 ' SG ' ' A' ' 19' ' ' CYS . 99.6 t -96.79 146.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -117.45 112.81 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.08 119.27 12.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.92 15.57 57.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 t -166.55 174.73 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -103.73 101.66 11.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -113.15 -175.87 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 61' ' ' ILE . 13.0 mm -67.14 -47.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.452 ' O ' HD12 ' A' ' 66' ' ' ILE . 4.1 mmp_? -60.74 -48.34 82.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' LYS . 59.4 t -54.42 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.66 ' O ' HD12 ' A' ' 68' ' ' LEU . 11.0 mttp -34.55 -64.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.9 m-80 -36.35 -52.74 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.0 mp -60.68 -40.58 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' LYS . 97.7 mt -64.1 -53.82 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.8 mp -45.3 -58.66 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -30.66 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.2 m120 58.61 50.91 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.05 -46.95 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.65 153.11 29.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.94 145.23 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -97.21 112.81 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.52 HG22 ' SD ' ' A' ' 97' ' ' MET . 19.9 t -109.6 152.28 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 98' ' ' ILE . 49.0 mttt -78.07 147.88 74.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.75 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -75.42 -54.97 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -39.24 -39.05 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 HD12 HD13 ' A' ' 32' ' ' LEU . 35.0 mt -57.86 -43.75 86.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 78' ' ' ALA . 91.2 mt -55.77 -45.45 78.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 86' ' ' THR . 13.8 mm-40 -49.16 -24.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.6 -25.43 21.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 12.3 m-30 -80.71 -26.8 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -92.36 -26.22 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 82' ' ' GLU . 10.6 p -105.25 -17.18 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mptt 56.89 41.51 27.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -146.66 163.4 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -79.63 96.97 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 82' ' ' GLU . 15.4 t -77.55 135.32 64.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.584 0.707 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.78 154.74 67.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 29.0 m0 -68.22 136.29 53.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -117.87 154.59 51.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -8.5 23.75 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.08 -28.03 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 11.2 m-85 -76.41 -50.49 14.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.52 ' SD ' HG22 ' A' ' 75' ' ' VAL . 79.7 mmm -57.0 145.34 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.558 HD11 ' HG2' ' A' ' 76' ' ' LYS . 79.3 mt -111.93 -32.33 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -158.26 134.58 9.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -136.08 131.0 34.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.1 p -49.07 159.12 0.61 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -3.74 12.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -95.21 -26.12 16.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 m -94.79 -41.3 9.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -44.54 -36.43 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -48.68 -46.67 40.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.1 t60 -58.74 -45.53 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 109' ' ' ALA . 13.5 m-85 -64.74 -42.98 94.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 108' ' ' PHE . . . -37.39 -46.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 16.3 mtp-105 -62.95 -48.16 80.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -51.04 56.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -40.16 -51.92 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -109.59 160.45 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -133.87 169.9 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.52 -125.72 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -171.39 135.24 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.39 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 166.51 29.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.17 82.74 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.85 144.71 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.629 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -68.66 -40.3 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.144 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m -159.16 161.76 36.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.13 35.69 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.61 -37.85 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 18.0 m-85 -94.38 20.38 8.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.29 124.7 21.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.17 28.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.14 142.38 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' OE2' HG13 ' A' ' 44' ' ' VAL . 2.0 tm-20 -101.38 149.85 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 43' ' ' ILE . 65.5 m-85 -141.28 144.37 34.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.7 p -139.97 110.29 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.83 137.94 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.9 mmt -107.0 -41.81 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -156.51 158.73 37.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.3 -156.56 10.81 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -113.54 -174.81 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.51 -59.65 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.426 ' CB ' ' OE1' ' A' ' 27' ' ' GLN . 46.0 m -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -111.25 123.51 34.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 53.4 Cg_endo -69.76 -178.78 2.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.3 tttm -66.25 -59.11 9.11 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.615 0.721 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.79 8.46 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' CG ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.72 -47.76 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.7 mt -73.17 -42.8 62.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -41.61 -44.46 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -70.07 -50.92 36.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ILE . 9.0 mmt180 -56.98 -64.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.477 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.9 mt -36.43 -60.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.92 -50.38 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -52.4 -26.12 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -94.36 22.13 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.0 51.88 21.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.47 155.09 20.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -99.18 135.07 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.8 mm -116.93 125.15 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.736 HG13 ' OE2' ' A' ' 17' ' ' GLU . 34.3 m -115.38 -176.5 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -104.44 -45.7 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -120.26 136.48 25.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.21 47.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.256 . . . . 0.0 112.338 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.9 -162.8 9.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.527 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.62 29.59 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -104.26 42.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.67 HG23 ' OE1' ' A' ' 17' ' ' GLU . 27.6 m -120.64 156.32 31.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 51' ' ' THR . 10.9 t80 -86.56 -64.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.6 p -163.75 161.19 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' SG ' ' A' ' 19' ' ' CYS . 76.9 t -97.8 132.55 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.491 HG21 HD13 ' A' ' 32' ' ' LEU . 19.1 mm -100.94 109.61 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.483 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -125.43 118.2 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.01 -31.89 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.0 p -131.39 174.19 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -98.03 112.35 24.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -144.12 166.15 25.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.2 mp -42.42 -55.8 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' HD12 ' A' ' 66' ' ' ILE . 17.8 mmt180 -45.51 -63.59 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG21 ' HB1' ' A' ' 56' ' ' ALA . 48.4 t -56.82 -34.29 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 67' ' ' ILE . 20.5 mttt -62.83 -63.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.9 m-80 -36.34 -44.34 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 62' ' ' ARG . 3.6 mp -66.85 -43.15 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.4 mt -65.63 -51.2 65.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.3 mt -44.78 -48.18 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -52.88 -40.79 63.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.4 t30 67.57 43.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -110.77 -43.37 3.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.5 171.02 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 141.4 37.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.84 146.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG22 ' SD ' ' A' ' 97' ' ' MET . 48.5 t -136.81 147.38 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -77.71 143.67 67.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.52 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.4 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.56 -44.26 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.518 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 17.0 t90 -49.28 -28.47 4.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.78 -37.68 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.61 -46.43 84.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' THR . 10.0 mm-40 -47.19 -32.89 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 87' ' ' LYS . 12.4 m -81.21 -33.87 32.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -72.88 -18.89 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -97.4 -33.62 11.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' GLU . 15.0 p -103.45 -5.39 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' CYS . 3.2 mptt 45.94 42.65 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.0 m -139.43 162.83 34.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -77.62 100.77 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 91' ' ' PRO . 62.0 t -83.61 137.05 41.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.712 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.57 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.78 -164.33 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.63 2.22 . . . . 0.0 112.377 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -111.25 135.66 51.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 2.2 mp0 -122.91 156.69 61.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -9.2 25.53 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -96.24 -25.1 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.0 m-85 -82.44 -34.41 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.497 ' SD ' HG22 ' A' ' 75' ' ' VAL . 16.9 mmm -79.48 149.91 31.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 79.8 mt -110.92 -38.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 62.1 t60 -132.17 80.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.6 mtp -86.54 111.39 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.5 m -44.0 162.91 0.19 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -9.57 26.45 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.406 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 106' ' ' GLU . 37.3 t -90.75 -26.01 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.0 m -95.22 -30.48 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -66.54 -55.41 15.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -39.43 -54.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -51.42 -46.93 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.93 -41.84 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -51.33 -45.3 62.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 10.1 ptt180 -79.18 -33.1 44.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 5.5 mm-40 -47.13 -43.98 21.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLU . 16.9 m-85 -37.57 -48.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 m -96.81 110.43 22.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -124.9 99.89 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -149.11 -157.17 7.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 p -44.36 94.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 4' ' ' GLY . 84.4 p -83.09 78.73 9.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.18 40.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -41.13 123.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -48.45 -44.85 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -165.58 169.79 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -117.48 38.75 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.8 pt -67.52 -35.58 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' HG13 ' A' ' 12' ' ' ILE . 12.0 m-30 -89.02 19.03 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -49.8 126.24 13.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.36 40.94 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -133.11 121.85 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -90.46 159.79 16.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.5 m-85 -145.95 150.13 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 44' ' ' VAL . 84.0 m -134.81 99.82 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -86.0 126.61 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.698 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -99.13 -34.27 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -168.65 160.46 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.72 -160.44 11.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.0 p -122.49 -179.28 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.4 -65.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -47.74 -47.5 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -123.03 120.08 27.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.73 163.89 36.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.347 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.8 tttm -47.96 -58.64 7.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.547 0.689 . . . . 0.0 110.871 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.3 Cg_endo -69.8 15.03 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.4 t70 -78.44 -50.21 12.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD11 ' CB ' ' A' ' 77' ' ' PRO . 1.1 mt -74.13 -40.04 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -42.07 -43.4 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -73.47 -46.26 49.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 10.1 mmt180 -61.31 -63.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' HB ' HD11 ' A' ' 43' ' ' ILE . 72.1 mt -37.76 -58.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.21 -46.06 54.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 38.8 mm-40 -59.05 -23.71 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 84' ' ' PHE . 10.9 m-85 -93.75 15.94 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.43 42.45 18.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.94 165.77 15.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.55 147.15 29.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' PHE . 24.5 mm -131.51 120.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG2' ' SG ' ' A' ' 19' ' ' CYS . 17.4 m -119.91 -176.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -100.11 -46.72 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -117.38 136.37 23.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.6 Cg_endo -69.83 145.84 57.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.22 -158.22 7.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -20.9 33.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -107.16 43.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 72' ' ' HIS . 23.8 m -119.72 128.24 53.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -70.31 -54.79 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 p -162.79 170.69 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.698 HG13 ' SD ' ' A' ' 21' ' ' MET . 73.9 t -112.14 130.32 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.591 HG13 HD11 ' A' ' 80' ' ' LEU . 25.9 mm -97.87 117.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.8 117.95 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.32 -18.3 60.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 t -129.62 158.86 38.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -93.51 131.21 38.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -157.3 169.78 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.9 mp -47.47 -60.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.176 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -43.58 -63.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.41 -39.97 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 67' ' ' ILE . 15.2 tttp -57.78 -58.96 6.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -39.28 -44.21 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG21 HG21 ' A' ' 54' ' ' VAL . 3.4 mp -67.2 -39.77 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 99' ' ' HIS . 79.3 mt -65.18 -43.9 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.82 -50.42 72.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' O ' ' CD ' ' A' ' 71' ' ' LYS . 2.2 m -48.03 -28.99 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 4.4 m120 61.05 45.15 9.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 70' ' ' ASN . 7.8 mptt -120.75 -53.31 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 47' ' ' PRO . 52.0 m170 -99.93 152.79 19.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.32 149.89 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.74 114.61 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG13 ' SD ' ' A' ' 97' ' ' MET . 2.1 t -116.21 147.8 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -70.98 144.38 90.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.74 0.55 5.47 Favored 'Trans proline' 0 N--CA 1.466 -0.147 0 C-N-CA 122.728 2.286 . . . . 0.0 112.366 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.46 -38.33 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HE1' HG13 ' A' ' 90' ' ' VAL . 7.1 t90 -56.68 -40.83 76.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.591 HD11 HG13 ' A' ' 55' ' ' ILE . 19.5 mt -54.29 -39.08 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.3 mt -57.08 -44.14 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 86' ' ' THR . 13.0 mm-40 -50.11 -29.64 9.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.495 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.3 m -82.42 -23.39 34.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CD1' ' CE2' ' A' ' 39' ' ' PHE . 7.6 m-30 -85.73 -23.03 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -94.34 -33.92 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 82' ' ' GLU . 6.8 p -97.47 -23.38 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.52 37.51 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -135.45 -179.79 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -96.85 85.98 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' CG1' ' SG ' ' A' ' 83' ' ' CYS . 0.6 OUTLIER -79.53 131.7 64.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -175.8 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.534 ' CG ' ' SD ' ' A' ' 97' ' ' MET . 10.0 m0 -87.72 139.9 30.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 3.3 mp0 -117.67 157.93 46.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -9.71 26.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -98.43 -27.4 14.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.2 m-85 -86.38 -48.09 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 92' ' ' TRP . 82.3 mmm -62.51 147.09 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.4 mt -113.93 -42.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 67' ' ' ILE . 72.7 t60 -141.58 105.23 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 19.1 mtm -99.39 127.33 45.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.56 161.4 0.4 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.644 0.735 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -12.45 33.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.756 2.304 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.1 m -94.6 -25.26 16.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.7 m -98.47 -31.82 11.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.16 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -58.57 -41.1 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.6 pt-20 -63.15 -37.03 85.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 1.9 t60 -59.93 -40.16 87.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.03 -46.41 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -74.43 -41.22 61.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' TYR . 15.4 mm-40 -45.2 -52.57 9.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLU . 3.9 m-85 -37.4 -48.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -95.84 148.61 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 p -150.88 177.23 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.25 125.13 2.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 p -112.51 -3.23 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m -102.88 138.23 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.88 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -45.69 141.7 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -68.39 -44.14 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -155.92 159.17 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.39 35.65 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 13' ' ' PHE . 27.2 pt -71.38 -30.03 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' HG13 ' A' ' 12' ' ' ILE . 17.4 m-85 -100.19 17.4 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.53 131.93 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 63.92 27.23 14.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 43.2 t -120.72 125.39 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.51 152.96 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 70.3 m-85 -147.69 138.22 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' HG21 ' A' ' 51' ' ' THR . 5.3 p -132.61 113.13 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.6 t -97.78 140.02 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 15.0 mmt -111.82 -35.26 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.3 t -168.1 157.82 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.02 -158.29 10.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.0 p -122.28 -179.74 4.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.112 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.46 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -46.61 -51.64 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 20.9 mp0 -115.61 116.34 41.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.83 174.18 9.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 11.1 tttm -56.56 -59.7 11.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 14.73 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' OD2' ' CB ' ' A' ' 27' ' ' GLN . 28.4 t0 -76.73 -49.62 15.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 80' ' ' LEU . 1.4 mt -75.41 -39.33 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -42.7 -44.26 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -73.06 -58.19 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -48.48 -60.86 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' HB ' HD11 ' A' ' 43' ' ' ILE . 75.5 mt -40.73 -60.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.36 -47.01 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -56.67 -23.04 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.45 22.36 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.18 41.91 68.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.11 166.88 13.13 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -110.29 140.13 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HD13 ' HB2' ' A' ' 18' ' ' PHE . 30.2 mm -121.97 116.32 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -107.24 178.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -99.37 -43.06 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -125.15 139.1 32.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 138.84 38.72 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.44 -162.6 9.74 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.54 30.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -109.94 44.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' SG ' ' A' ' 19' ' ' CYS . 82.4 m -120.45 139.26 53.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HH ' ' HZ ' ' A' ' 89' ' ' PHE . 16.8 t80 -66.89 -69.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.8 p -165.0 168.3 17.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG22 ' SG ' ' A' ' 19' ' ' CYS . 21.2 t -96.55 153.49 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 32' ' ' LEU . 27.3 mm -127.1 97.93 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -134.03 125.38 27.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.17 -31.62 41.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 p -125.28 177.53 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -103.88 100.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' ILE . 3.3 p-10 -116.05 165.01 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 60' ' ' ASN . 6.6 mm -33.92 -66.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -44.63 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.6 t -42.76 -46.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 68' ' ' LEU . 32.1 tttp -49.57 -58.98 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -41.02 -50.34 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.1 mp -61.53 -36.93 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.492 HG23 ' NE2' ' A' ' 99' ' ' HIS . 96.6 mt -66.1 -49.56 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.2 mp -51.05 -48.65 61.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 70' ' ' ASN . 1.9 m -55.27 -14.4 1.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 12.9 t-20 35.98 44.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -120.47 -37.76 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -101.77 170.0 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.13 147.82 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -104.4 137.31 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 76' ' ' LYS . 21.9 t -130.22 154.05 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' HG2' HD11 ' A' ' 98' ' ' ILE . 51.2 mttt -77.99 146.18 71.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.947 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -3.01 11.17 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.86 -51.3 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.52 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 9.1 t90 -40.68 -34.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 32' ' ' LEU . 13.9 mt -61.53 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.6 -47.89 75.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.792 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.7 mm-40 -47.16 -24.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 87' ' ' LYS . 13.8 m -88.51 -34.62 17.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.1 -28.76 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -87.74 -34.96 18.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 82' ' ' GLU . 19.2 p -95.67 -14.26 23.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 83' ' ' CYS . 9.1 mptt 55.98 35.99 26.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 m -144.02 162.12 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' HZ ' ' HH ' ' A' ' 52' ' ' TYR . 2.5 t80 -73.83 81.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.4 t -56.07 138.94 72.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.79 152.99 69.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -71.35 137.43 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 95' ' ' ARG . 74.1 mm-40 -116.27 153.44 48.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.593 0.711 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.79 30.61 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.402 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -86.18 -28.72 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 4.5 m-85 -67.48 -40.59 85.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 mtp -62.87 160.62 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 76' ' ' LYS . 54.3 mt -128.42 -31.61 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.492 ' NE2' HG23 ' A' ' 67' ' ' ILE . 28.6 t60 -163.34 105.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -102.86 164.71 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -83.92 160.92 57.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.27 20.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.9 t -95.4 -28.38 14.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 m -90.83 -43.07 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -42.6 -34.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 29.5 mt-10 -51.27 -51.51 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -54.11 -47.21 72.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.99 -38.69 89.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -45.58 -42.58 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mtp85 -59.43 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -53.88 -43.99 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -56.62 -42.69 79.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.842 179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -97.01 176.77 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 p -174.14 171.69 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.04 152.14 18.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.12 133.02 53.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -148.05 146.42 28.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.25 72.9 2.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -54.25 136.81 42.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.65 -34.83 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 m -170.67 170.26 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.45 42.16 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 21.5 pt -71.48 -23.38 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.16 13.93 32.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.67 121.95 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 t70 68.24 38.94 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -131.97 135.55 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.78 158.11 16.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.649 ' HB2' HD13 ' A' ' 43' ' ' ILE . 87.8 m-85 -149.3 140.06 22.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.456 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 7.1 t -134.99 95.66 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -89.08 117.89 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.456 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 21.5 mmt -80.14 -49.33 11.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -153.48 163.61 39.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.69 -136.3 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ASP . 49.3 p -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' THR . 12.7 p-10 -34.2 -48.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -59.25 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -115.82 121.25 34.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.73 161.32 46.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.682 2.254 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.8 ttpp -45.83 -58.57 5.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.76 15.57 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.295 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.8 t70 -79.62 -51.67 8.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 80' ' ' LEU . 1.8 mt -73.92 -35.69 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' HG11 ' A' ' 20' ' ' VAL . 50.2 mt-10 -43.87 -47.95 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -59.22 -41.87 89.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' CB ' ' CE2' ' A' ' 84' ' ' PHE . 28.4 mmt180 -69.45 -59.47 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.69 ' HB ' HD11 ' A' ' 43' ' ' ILE . 44.0 mt -42.56 -50.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.21 88.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.87 -24.72 67.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 12.3 m-85 -90.91 7.75 38.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.23 34.5 12.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.84 162.14 12.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 18' ' ' PHE . 8.1 t80 -107.6 131.8 53.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.69 HD11 ' HB ' ' A' ' 36' ' ' ILE . 38.2 mm -113.12 108.21 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 42' ' ' TYR . 23.1 m -102.15 175.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -121.9 137.5 27.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 146.4 59.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -145.9 -157.53 7.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.71 37.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.07 46.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.02 132.7 53.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -74.68 -54.48 7.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 p -163.22 175.27 11.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -112.19 149.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.2 mm -118.26 115.53 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.92 117.72 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.13 -31.79 61.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 t -133.54 172.55 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -93.42 92.41 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -102.92 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.0 mm -54.84 -64.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -42.95 -57.56 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.2 t -45.89 -48.84 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 68' ' ' LEU . 25.2 tttt -47.66 -56.27 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 66' ' ' ILE . 2.8 mp -61.33 -33.5 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -67.83 -51.56 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mp -48.98 -60.1 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -39.17 -42.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.72 52.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -119.45 -33.52 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -123.41 174.58 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.34 158.5 18.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.4 t -106.73 118.23 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.588 HG11 ' CE3' ' A' ' 79' ' ' TRP . 13.7 t -108.62 145.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.72 ' HG2' HD11 ' A' ' 98' ' ' ILE . 31.3 mttp -71.89 150.58 92.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.72 -0.67 7.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -85.04 -46.64 10.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CE3' HG11 ' A' ' 75' ' ' VAL . 14.0 t90 -45.18 -28.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.809 HD12 HD13 ' A' ' 32' ' ' LEU . 32.7 mt -73.7 -35.79 65.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' ALA . 64.3 mt -62.23 -48.39 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 86' ' ' THR . 19.4 mm-40 -47.78 -30.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 90' ' ' VAL . 4.6 m -83.59 -29.04 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.422 ' CE2' ' CB ' ' A' ' 35' ' ' ARG . 8.9 m-30 -77.23 -21.73 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -98.08 -26.69 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.0 p -105.48 -11.6 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.61 45.12 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 m -155.56 137.93 14.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -48.97 101.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG13 ' HD2' ' A' ' 91' ' ' PRO . 33.4 t -78.74 137.1 58.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.729 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.81 155.74 65.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -76.12 139.33 41.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 32.1 mt-30 -128.85 157.39 75.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.53 18.81 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -99.19 -13.99 19.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.7 m-85 -97.64 -33.43 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 81.4 mmm -77.4 138.03 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.72 HD11 ' HG2' ' A' ' 76' ' ' LYS . 77.7 mt -104.55 -38.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -151.69 127.51 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.04 129.88 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.59 159.26 0.26 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -7.64 21.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -94.89 -17.0 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.6 m -98.42 -37.78 9.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -52.5 -30.1 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.53 -43.87 89.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -60.61 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' GLU . 8.7 m-85 -61.53 -45.83 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -37.38 -45.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -55.65 -44.24 76.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 108' ' ' PHE . 37.9 mt-10 -63.97 -48.28 77.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -40.29 -44.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -89.23 102.31 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.922 0.391 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.4 p -51.32 152.33 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.89 133.0 1.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 p -112.14 154.47 25.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -129.76 160.63 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.33 79.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -72.24 134.68 45.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -69.27 -39.41 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 12' ' ' ILE . 9.1 t -156.05 123.7 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -86.74 52.53 2.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG23 ' OG ' ' A' ' 10' ' ' SER . 32.2 pt -83.25 -31.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -95.37 12.12 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.95 124.32 9.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 71.82 33.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.4 t -129.43 135.24 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -96.16 156.24 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 36' ' ' ILE . 72.0 m-85 -147.08 133.15 19.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.97 99.97 6.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -84.27 121.51 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.49 ' HB2' ' HB2' ' A' ' 56' ' ' ALA . 14.4 mmt -97.61 -34.24 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -166.38 147.22 6.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.12 -155.1 12.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' GLN . 40.5 p -124.37 168.41 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.25 -54.36 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.6 t -55.35 -51.18 67.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 24' ' ' THR . 16.8 mm-40 -121.68 120.02 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.3 Cg_endo -69.76 163.07 39.65 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 ttpt -46.89 -58.89 6.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.7 17.03 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 17.3 t70 -81.46 -55.11 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.4 mt -67.94 -36.55 80.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -45.11 -45.82 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -71.26 -49.23 45.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' ILE . 20.2 mmt-85 -57.0 -66.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.646 HG21 ' CD1' ' A' ' 18' ' ' PHE . 76.6 mt -34.0 -57.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.2 -48.39 23.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -61.32 -23.91 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -92.1 19.33 6.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 48.45 29.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.73 168.16 21.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' HD13 ' A' ' 43' ' ' ILE . 24.2 t80 -109.82 142.4 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 36' ' ' ILE . 22.3 mm -120.83 124.92 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.4 m -121.9 -176.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -107.66 -48.98 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.74 133.74 22.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 132.22 22.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.08 -157.94 7.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -19.75 35.19 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.333 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.73 43.22 1.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 52' ' ' TYR . 87.2 m -130.88 157.33 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' N ' HG22 ' A' ' 51' ' ' THR . 24.7 t80 -91.5 -64.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 p -160.18 173.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG21 HG21 ' A' ' 66' ' ' ILE . 43.0 t -108.68 142.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.454 HD13 ' HB ' ' A' ' 75' ' ' VAL . 39.7 mm -114.8 115.39 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 21' ' ' MET . . . -144.96 117.98 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.1 -36.84 53.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.1 t -139.88 166.54 24.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -79.48 93.62 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 61' ' ' ILE . 73.6 m-20 -103.5 163.27 12.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 5.9 mm -35.07 -66.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 5.4 mmp_? -45.44 -61.07 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.7 t -44.44 -43.83 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -50.55 -57.36 8.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -43.25 -42.96 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.652 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.4 mp -69.16 -43.35 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.0 mt -57.01 -50.89 74.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.2 mt -44.91 -65.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -40.94 -33.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.5 t30 57.64 44.63 20.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.04 -40.01 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -107.22 -174.97 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.86 137.51 54.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.07 129.2 41.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.7 t -133.44 151.66 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.24 150.28 85.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.18 11.51 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.15 -50.83 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -41.85 -39.5 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.757 ' CD1' HD13 ' A' ' 32' ' ' LEU . 69.8 mt -56.09 -40.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD23 ' HD2' ' A' ' 84' ' ' PHE . 62.0 mt -55.35 -51.61 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 90' ' ' VAL . 55.5 mm-40 -44.29 -26.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.3 m -84.9 -36.4 21.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HD2' HD23 ' A' ' 81' ' ' LEU . 13.7 m-85 -70.62 -21.25 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 -35.43 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.9 p -102.43 1.21 34.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.7 OUTLIER 37.82 43.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -144.02 163.79 32.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -78.19 94.7 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 17.2 t -79.76 136.63 54.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.82 -178.28 2.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.488 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 9.5 m0 -85.73 144.23 27.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.563 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 52.0 mm-40 -126.67 155.72 74.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.02 29.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.659 2.239 . . . . 0.0 112.385 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -99.2 -16.48 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 17.9 m-85 -100.13 -39.23 8.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 76.1 mmm -73.1 140.41 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 51.9 mt -112.48 -37.01 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -146.45 131.61 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -137.61 136.65 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.1 m -44.53 160.61 0.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.63 0.728 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.73 26.84 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.4 t -94.49 -24.13 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 m -98.94 -34.48 10.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -44.81 91.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.6 pt-20 -47.71 -43.31 26.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 82.2 t60 -59.39 -31.03 68.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -77.1 -43.16 35.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.97 -27.76 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 2.3 ptp180 -85.91 -30.83 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' TYR . 2.4 mm-40 -57.59 -49.28 76.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLU . 11.0 m-85 -35.93 -53.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.888 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -172.78 147.8 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -83.68 -47.38 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.25 -117.6 2.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -83.04 130.97 35.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -86.96 122.64 31.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.27 71.7 1.0 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -57.9 144.2 39.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.2 mp -67.88 -36.69 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -164.61 148.81 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.11 48.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 pt -78.43 -25.9 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -105.55 15.0 27.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -51.25 122.25 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t0 72.7 31.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.3 t -127.38 125.57 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -92.3 156.65 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.526 ' HB2' HD13 ' A' ' 43' ' ' ILE . 82.2 m-85 -144.04 144.47 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' A' ' 54' ' ' VAL . 1.9 t -130.84 100.52 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 38.1 t -89.11 136.46 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.447 ' O ' ' CE ' ' A' ' 29' ' ' LYS . 15.5 mmt -109.76 -33.87 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.5 p -168.67 164.26 12.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.83 -150.44 6.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ASP . 21.2 p -129.9 160.63 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.0 t70 -36.17 -66.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.7 p -46.1 -53.52 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HD11 ' A' ' 81' ' ' LEU . 2.4 mp0 -116.4 108.76 44.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.938 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.0 Cg_endo -69.72 163.65 37.47 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 1.7 ttmm -45.84 -59.22 4.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.72 18.16 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.6 t70 -85.89 -58.95 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.71 -41.79 91.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -40.29 -44.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -68.76 -54.21 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.3 mmt85 -50.06 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' HB ' HD11 ' A' ' 43' ' ' ILE . 98.7 mt -36.15 -60.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -44.65 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 54.5 mt-10 -61.45 -28.48 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -91.99 21.69 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.09 47.66 44.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.01 158.45 20.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -102.79 140.07 37.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 18' ' ' PHE . 28.0 mm -121.92 124.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.46 -176.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -102.65 -40.55 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -124.19 138.93 31.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.51 54.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.19 -158.98 8.21 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.36 30.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -103.94 42.6 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.6 m -120.93 142.55 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -85.59 -50.88 6.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -169.81 146.83 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG23 ' CE1' ' A' ' 72' ' ' HIS . 39.0 t -93.85 117.23 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.645 HD13 ' HB ' ' A' ' 75' ' ' VAL . 19.0 mm -86.46 135.77 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.81 125.67 8.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -83.72 -27.73 37.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.471 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 t -144.88 143.02 30.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.39 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' ILE . 4.0 m-80 -100.17 159.1 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' ASN . 46.7 mm -37.34 -65.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 66' ' ' ILE . 62.8 mmt-85 -42.14 -57.23 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 79.0 t -44.02 -63.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.683 ' O ' HD12 ' A' ' 68' ' ' LEU . 18.7 tttm -34.39 -58.74 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -44.06 -46.23 8.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.0 mp -68.56 -31.66 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.25 -50.59 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.9 mp -46.26 -62.35 1.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.6 p -40.52 -38.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.2 t30 62.52 36.87 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -114.26 -36.4 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.855 ' CE1' HG23 ' A' ' 54' ' ' VAL . 5.8 t-80 -97.23 179.61 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -126.38 140.83 52.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.17 126.91 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.729 HG22 ' SD ' ' A' ' 97' ' ' MET . 90.5 t -116.66 155.12 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 75' ' ' VAL . 84.5 mttt -77.36 149.05 78.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.8 -7.62 21.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.36 -43.24 23.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.624 ' CE3' HG11 ' A' ' 75' ' ' VAL . 11.9 t90 -46.4 -30.81 2.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 19.6 mt -71.46 -47.33 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' PHE . 62.2 mt -47.39 -51.96 18.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -44.12 -40.1 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 87' ' ' LYS . 14.4 m -76.03 -29.14 57.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 80' ' ' LEU . 16.4 m-85 -76.33 -26.8 56.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -90.79 -26.01 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.1 p -107.54 -13.48 15.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 83' ' ' CYS . 2.8 mptt 54.25 38.8 30.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -141.94 155.84 45.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -71.11 103.44 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.652 HG13 ' HD2' ' A' ' 91' ' ' PRO . 92.2 t -84.07 138.48 39.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.652 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.74 163.49 38.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -80.67 136.1 36.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 53.0 mt-30 -122.33 154.95 62.5 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.388 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -98.27 -19.49 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -89.1 -34.08 16.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.729 ' SD ' HG22 ' A' ' 75' ' ' VAL . 22.3 mmm -80.12 145.6 32.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 88.8 mt -111.97 -42.0 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 40.5 t60 -134.75 73.5 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.8 mtt -52.87 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.83 162.11 28.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.8 27.01 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.6 t -95.79 -24.21 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' HIS . 15.7 m -100.22 -53.13 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -41.2 -33.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 10.4 pt-20 -68.76 -42.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 10.7 t60 -58.66 -44.35 90.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -47.22 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -43.64 -53.4 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -63.31 -46.26 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.64 -48.49 49.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -57.86 -45.88 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -159.36 123.94 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -149.58 143.61 25.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.808 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.6 162.22 26.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -94.93 153.87 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -119.36 137.64 53.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.4 44.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -83.96 139.03 32.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.3 -41.65 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.557 ' HB3' HG23 ' A' ' 12' ' ' ILE . 16.9 m -165.5 131.69 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -85.09 37.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 10' ' ' SER . 45.5 pt -62.79 -38.38 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 12' ' ' ILE . 21.3 m-85 -92.95 26.37 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.53 123.75 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 64.89 39.21 6.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.5 123.1 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 155.86 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.877 ' HB2' HD13 ' A' ' 43' ' ' ILE . 68.3 m-85 -144.96 140.31 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -130.96 103.68 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -92.62 135.42 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.501 ' HE3' ' HD3' ' A' ' 47' ' ' PRO . 15.7 mmt -112.91 -38.61 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -164.28 161.04 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.24 -150.95 8.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLN . 81.4 p -124.86 176.05 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -53.27 -59.04 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.7 m -54.39 -53.33 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 24' ' ' THR . 2.8 mp0 -112.03 118.86 45.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.79 160.48 49.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -45.28 -58.75 5.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.79 17.79 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 19.6 t70 -82.19 -53.31 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 80' ' ' LEU . 3.4 mt -70.66 -42.33 70.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -41.23 -45.05 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -72.59 -52.13 16.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -53.25 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' CG ' ' A' ' 18' ' ' PHE . 78.9 mt -40.79 -60.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.7 20.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -55.24 -22.89 19.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 10' ' ' SER . 18.1 m-85 -97.55 26.36 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.22 48.97 42.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.29 156.81 20.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' PHE . 16.1 t80 -106.65 131.89 53.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HB2' ' A' ' 18' ' ' PHE . 33.0 mm -115.76 126.04 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -114.7 -174.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -101.42 -47.74 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -120.98 137.62 26.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.674 0.749 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.501 ' HD3' ' HE3' ' A' ' 21' ' ' MET . 54.1 Cg_endo -69.69 128.09 15.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.03 -155.12 7.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.515 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -27.36 26.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.312 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.8 38.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 66.3 m -125.22 140.46 52.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -80.39 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.6 p -149.8 178.56 8.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -122.98 125.32 72.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.725 HG13 HD11 ' A' ' 80' ' ' LEU . 35.1 mm -93.09 123.06 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.07 117.44 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.432 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -62.87 -36.26 93.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.9 m -145.75 176.26 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.14 85.68 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -92.62 176.67 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.42 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 66' ' ' ILE . 5.8 mpt_? -49.68 -58.81 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.9 -44.9 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.1 tttm -50.97 -52.33 43.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -47.81 -49.27 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.538 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.9 mp -62.41 -40.87 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.1 -42.9 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.2 mt -59.01 -55.47 34.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -47.74 -41.21 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.6 t30 64.41 44.91 3.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -111.31 -40.5 4.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.504 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 30.9 m80 -106.14 172.53 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -107.99 150.22 27.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.5 t -107.81 119.71 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.98 148.42 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -69.25 147.78 97.33 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.79 -14.41 35.96 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.728 2.285 . . . . 0.0 112.289 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -69.5 -53.3 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.2 t90 -35.01 -43.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.725 HD11 HG13 ' A' ' 55' ' ' ILE . 9.2 mt -56.61 -45.46 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 78' ' ' ALA . 55.2 mt -49.88 -55.07 15.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 90' ' ' VAL . 30.4 mm-40 -42.25 -36.13 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 87' ' ' LYS . 19.7 m -79.66 -31.98 41.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.7 m-85 -74.77 -28.43 60.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -86.37 -35.52 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLU . 21.2 p -95.53 -21.53 18.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 62.33 40.85 10.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 155.79 41.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -66.43 97.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 91' ' ' PRO . 76.9 t -76.22 136.77 68.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.81 139.11 39.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -57.01 138.11 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 57.0 mm-40 -120.25 153.96 55.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -15.83 37.48 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -90.21 -20.6 22.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 15.4 m-85 -82.59 -33.6 27.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.4 mtp -67.87 149.58 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.1 mt -121.82 -42.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 28.6 t60 -135.06 76.64 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.4 mtt -63.8 135.43 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.39 163.54 25.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.76 31.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.399 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.3 t -96.23 -26.46 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 106' ' ' GLU . 26.0 m -94.22 -56.39 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 104' ' ' THR . 30.6 tttt -33.85 -33.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 104' ' ' THR . 4.1 mm-40 -61.28 -52.38 64.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' THR . 7.5 t60 -57.08 -50.03 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.41 -41.89 90.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.95 93.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 15.6 mtp-105 -66.48 -45.96 77.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.85 -54.84 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -42.97 -43.0 3.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 60.97 39.76 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -155.16 162.0 41.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.51 52.27 49.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -144.16 114.5 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -126.39 98.2 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.43 77.8 0.42 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -88.66 144.73 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -67.7 -43.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -162.56 -179.89 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.27 27.2 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.4 pt -56.33 -37.52 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.84 20.07 11.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 16' ' ' VAL . 12.4 tt0 -57.11 131.57 50.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 61.48 36.46 17.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.6 t -129.11 136.18 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -97.71 152.3 19.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.0 m-85 -145.41 137.78 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' SG ' ' CE ' ' A' ' 21' ' ' MET . 35.7 t -125.93 107.28 10.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.82 136.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.403 ' CE ' ' SG ' ' A' ' 19' ' ' CYS . 16.7 mmt -102.54 -40.7 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.9 t -170.72 152.22 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.95 -151.89 21.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.7 p -128.83 176.45 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.93 -46.52 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.1 m -63.76 -54.6 32.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 53.3 mt-30 -113.17 122.07 36.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.573 0.702 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 162.39 42.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.7 tttp -45.91 -58.73 5.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.75 17.32 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 16.3 t70 -83.49 -50.15 8.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 77' ' ' PRO . 1.2 mt -75.74 -27.31 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -65.31 -44.25 88.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.557 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 2.4 p30 -68.24 -56.24 9.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 50.8 mtt-85 -53.06 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' ARG . 81.8 mt -35.14 -57.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.32 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' ARG . 13.4 mm-40 -60.57 -24.99 65.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -92.71 18.88 8.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.21 42.09 51.49 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.47 153.13 16.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -97.25 135.53 39.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 18' ' ' PHE . 17.0 mm -114.62 126.51 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.94 -178.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -104.65 -37.26 7.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 4.3 t-20 -129.54 139.95 37.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 46' ' ' ASN . 53.9 Cg_endo -69.74 130.63 19.7 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.733 2.288 . . . . 0.0 112.345 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.36 -158.55 9.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.38 23.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.9 40.37 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 72' ' ' HIS . 81.0 m -116.12 143.79 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -80.34 -56.93 3.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -166.43 175.23 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 66' ' ' ILE . 94.8 t -113.43 129.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 80' ' ' LEU . 40.1 mm -98.32 118.15 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.87 116.21 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -33.06 64.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 p -125.28 179.62 5.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -106.64 95.82 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -112.29 167.5 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mm -40.03 -65.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -43.49 -60.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.3 t -44.34 -41.52 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' ILE . 28.3 tttt -54.35 -60.45 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -39.69 -47.85 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.6 HG21 HG21 ' A' ' 54' ' ' VAL . 3.1 mp -63.57 -36.31 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' LYS . 60.0 mt -70.82 -53.46 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.3 mt -43.74 -49.21 8.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -51.04 -36.36 39.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 t30 58.42 51.64 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -124.59 -37.14 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' NE2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m80 -109.76 177.26 4.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -113.25 143.07 45.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.1 t -98.18 115.12 37.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' SD ' ' A' ' 97' ' ' MET . 2.8 t -115.49 149.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' HG3' HD11 ' A' ' 98' ' ' ILE . 17.5 mttm -76.97 151.06 81.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.79 -3.12 11.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.45 -47.26 15.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.528 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -47.48 -37.39 11.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 55' ' ' ILE . 25.5 mt -58.77 -41.81 87.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 84' ' ' PHE . 65.7 mt -51.5 -53.23 39.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' THR . 43.3 mm-40 -43.0 -31.08 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.7 m -83.01 -34.36 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -72.04 -22.77 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.31 -34.06 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLU . 7.3 p -102.26 0.19 33.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 39.85 41.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 m -143.58 155.42 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -70.8 103.51 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.491 HG13 ' HD2' ' A' ' 91' ' ' PRO . 38.8 t -89.92 135.74 29.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.491 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.76 162.31 42.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 5.2 m0 -72.03 144.42 48.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 63.1 mt-30 -125.87 157.32 69.45 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.631 0.729 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.47 23.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 4.1 ptm85 -99.01 -20.25 16.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 79' ' ' TRP . 17.4 m-85 -96.54 -41.49 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.573 ' SD ' ' CD1' ' A' ' 92' ' ' TRP . 68.0 mmm -71.82 142.26 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.554 HD11 ' HG3' ' A' ' 76' ' ' LYS . 60.1 mt -112.44 -39.91 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -148.56 130.74 15.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.86 134.76 47.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 m -40.09 160.87 0.11 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.585 0.707 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.713 2.276 . . . . 0.0 112.365 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.9 m -95.43 -29.03 14.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 m -91.72 -38.8 12.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -56.85 -44.4 82.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 7.9 pt-20 -51.52 -40.95 60.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 86.4 t60 -57.28 -49.09 77.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -49.58 -30.14 8.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -68.22 -38.14 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -74.21 -43.39 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -39.44 -53.55 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m -83.39 132.32 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -162.11 126.31 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 52.77 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -127.52 131.5 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -110.0 172.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.82 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.43 80.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -60.58 128.02 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.4 mp -53.96 -44.63 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 12' ' ' ILE . 10.2 m -158.09 151.19 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.97 36.06 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HA ' ' A' ' 88' ' ' SER . 47.4 pt -63.51 -32.45 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CD1' HG13 ' A' ' 12' ' ' ILE . 15.8 m-85 -97.81 20.35 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -52.08 125.53 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.25 39.58 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -132.12 120.93 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -86.87 157.79 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.644 ' HB2' HD13 ' A' ' 43' ' ' ILE . 62.8 m-85 -144.67 159.31 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 p -149.75 114.06 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 55' ' ' ILE . 62.4 t -101.21 133.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 13.2 mmt -102.74 -41.97 6.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.7 p -162.92 146.79 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.93 -164.75 24.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 27' ' ' GLN . 17.3 p -106.3 177.42 4.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -57.82 -53.32 59.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -64.97 -42.71 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 24' ' ' THR . 30.8 mm-40 -117.68 118.52 34.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 31' ' ' ASP . 53.6 Cg_endo -69.78 174.91 8.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 ttpt -63.65 -57.61 18.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.73 17.95 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 29' ' ' LYS . 3.1 t0 -82.15 -53.61 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD13 HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -73.09 -35.77 66.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.1 -45.03 10.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -71.17 -52.64 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.4 mmp_? -53.61 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' ARG . 96.9 mt -37.31 -57.71 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.62 -42.26 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -62.05 -23.46 66.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -95.71 22.23 7.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.06 48.26 33.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.42 156.22 20.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -101.66 137.0 40.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 18' ' ' PHE . 46.2 mm -118.88 129.46 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.81 -176.02 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.37 -44.51 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -122.36 138.34 28.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 141.19 44.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.79 -156.82 6.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.12 36.58 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -111.47 45.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -122.24 147.5 46.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -85.72 -57.71 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.1 p -171.23 163.3 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.691 HG21 HG21 ' A' ' 66' ' ' ILE . 12.5 t -94.79 145.28 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.612 HG21 HD13 ' A' ' 32' ' ' LEU . 50.9 mm -117.51 98.08 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.584 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -130.16 115.72 17.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' CA ' ' HD3' ' A' ' 77' ' ' PRO . . . -70.1 -30.46 69.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -130.74 149.65 52.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.847 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.91 92.74 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -106.54 170.51 7.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.0 mm -45.83 -63.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' O ' HD12 ' A' ' 66' ' ' ILE . 10.9 mmm180 -42.26 -60.13 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG21 ' HB1' ' A' ' 56' ' ' ALA . 92.5 t -47.39 -49.88 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -44.71 -58.87 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -42.95 -50.15 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -62.09 -39.86 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.7 mt -57.12 -46.91 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.58 -59.57 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -50.4 -29.85 11.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 51.1 48.81 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -110.04 -36.7 5.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -110.53 173.32 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.97 133.84 52.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -87.35 118.91 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.671 HG22 ' SD ' ' A' ' 97' ' ' MET . 40.1 t -124.65 148.95 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' HD11 ' A' ' 98' ' ' ILE . 28.0 mttm -72.16 154.38 92.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.688 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.568 ' CB ' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.76 -21.58 33.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LEU . . . -60.88 -57.87 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.53 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.9 t90 -34.8 -44.27 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.808 HD12 HD13 ' A' ' 32' ' ' LEU . 17.0 mt -54.96 -47.64 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' ALA . 41.7 mt -44.87 -54.18 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 86' ' ' THR . 26.7 mm-40 -41.95 -39.96 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 87' ' ' LYS . 11.5 m -73.82 -32.41 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.1 m-30 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -94.12 -36.27 12.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 82' ' ' GLU . 14.7 p -96.58 -15.61 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 83' ' ' CYS . 5.5 mptt 58.89 42.23 20.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 12' ' ' ILE . 13.8 m -147.48 167.3 24.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -79.63 100.64 7.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' HD2' ' A' ' 91' ' ' PRO . 66.2 t -83.15 137.63 42.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.59 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.1 Cg_endo -69.8 171.23 14.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.25 . . . . 0.0 112.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -80.85 144.35 32.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 72.5 mt-30 -125.72 155.64 72.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.08 27.67 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 1.4 ptm85 -99.11 -16.8 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 24.0 m-85 -97.72 -40.1 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.671 ' SD ' HG22 ' A' ' 75' ' ' VAL . 74.4 mmm -72.6 135.86 45.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.448 HD11 ' HG2' ' A' ' 76' ' ' LYS . 75.6 mt -107.21 -38.39 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -146.87 110.04 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -108.7 136.95 47.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -40.58 161.16 0.11 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -15.08 36.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.4 t -92.75 -27.47 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.8 m -93.11 -45.92 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -50.54 -42.6 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 6.1 pt-20 -55.16 -43.37 74.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.469 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 77.0 t60 -57.17 -40.41 77.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.36 -48.14 65.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.92 29.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -74.57 -46.86 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 112' ' ' TYR . 17.5 mm-40 -38.31 -45.0 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' A' ' 111' ' ' GLU . 5.3 m-85 -34.56 -54.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 113' ' ' ASP . 15.4 p30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -128.89 144.24 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -73.52 -55.65 6.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.13 -165.47 29.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -82.61 171.87 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.926 0.393 . . . . 0.0 110.782 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -103.45 120.77 41.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.73 92.16 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' CD ' ' OD1' ' A' ' 11' ' ' ASN . 1.5 pttm -61.09 144.07 54.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.03 -33.6 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.451 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 7.1 t -164.03 170.55 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' CD ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -131.11 41.41 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.454 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.2 pt -66.63 -24.5 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HG13 ' A' ' 12' ' ' ILE . 19.0 m-85 -98.91 22.49 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.69 124.27 10.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t70 67.81 36.72 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 26.2 t -131.57 120.89 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.95 159.8 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 63.3 m-85 -151.53 133.87 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 t -119.08 100.19 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.29 127.41 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.6 mmt -100.63 -44.5 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 m -155.21 161.22 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.99 176.59 16.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.2 p -98.16 177.84 5.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.22 -64.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.2 m -47.13 -46.44 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' OE1' HD11 ' A' ' 81' ' ' LEU . 18.5 mp0 -129.01 114.49 18.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD2' ' CB ' ' A' ' 31' ' ' ASP . 53.7 Cg_endo -69.75 -167.38 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.316 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.4 tttm -73.86 -59.88 1.71 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 14.06 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -94.46 -45.2 7.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.39 -37.7 68.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -46.88 -50.33 18.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -59.95 -38.77 83.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 19.0 mmt-85 -65.64 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.637 ' HB ' HD11 ' A' ' 43' ' ' ILE . 71.8 mt -38.17 -56.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.9 -32.81 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ARG . 5.3 mm-40 -77.22 -11.62 59.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 13.7 m-85 -107.74 24.5 12.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 46.04 49.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.0 165.9 23.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -108.67 149.76 28.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.637 HD11 ' HB ' ' A' ' 36' ' ' ILE . 30.4 mm -126.16 132.12 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.27 139.66 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -70.57 -38.32 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -116.07 131.46 23.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.65 65.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.39 -161.87 10.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.17 30.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.48 42.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HE2' ' A' ' 72' ' ' HIS . 96.8 m -116.01 127.08 54.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.54 -55.34 15.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 p -164.92 169.68 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.55 117.67 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.3 mm -84.12 125.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.162 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.72 124.29 11.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -74.52 -28.01 64.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.9 t -152.8 165.19 36.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.68 116.0 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.13 176.61 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mm -52.83 -65.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.5 mmm180 -44.34 -62.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -45.15 -55.08 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -40.7 -61.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -40.23 -49.61 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.454 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.8 mp -60.0 -41.85 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 57.3 mt -58.86 -53.82 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.15 -57.62 2.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -44.45 -30.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 53.41 49.4 19.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -122.11 -37.68 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.446 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 7.9 m80 -108.13 179.03 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -122.4 157.38 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG12 HD12 ' A' ' 98' ' ' ILE . 59.5 t -108.3 137.06 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.508 HG22 ' SD ' ' A' ' 97' ' ' MET . 38.2 t -130.62 144.44 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -70.08 143.74 91.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.5 Cg_endo -69.72 1.17 4.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.67 -46.04 11.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -45.72 -32.38 2.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 10.3 mt -67.33 -37.61 83.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.459 HD11 ' OE1' ' A' ' 27' ' ' GLN . 44.0 mt -56.89 -51.68 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 86' ' ' THR . 6.2 mm-40 -43.89 -36.55 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' LYS . 6.6 m -76.56 -36.5 57.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 8.8 m-30 -67.65 -24.36 65.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -40.99 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 87' ' ' LYS . 10.9 p -95.84 2.6 53.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 34.68 43.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 m -141.53 158.91 43.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -70.78 101.44 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.2 t -87.47 131.63 43.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.32 46.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -73.28 140.07 46.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 34.9 mm-40 -121.32 153.03 58.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.19 27.96 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.658 2.238 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -99.33 -18.26 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.4 m-85 -89.23 -41.41 12.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.508 ' SD ' HG22 ' A' ' 75' ' ' VAL . 61.8 mmm -66.96 152.75 45.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.651 HD12 HG12 ' A' ' 74' ' ' VAL . 20.5 mt -120.59 -38.34 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -149.44 139.25 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -139.07 164.96 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -78.38 160.91 71.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -14.41 36.12 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.7 m -94.86 -14.57 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 45.4 m -101.5 -36.78 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -52.11 -35.21 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -52.0 -43.77 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -61.28 -32.08 71.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.64 -30.68 46.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.27 89.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 15.4 ptm180 -80.44 -40.88 25.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 3.4 mm-40 -46.02 -55.67 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -46.14 -51.27 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p 37.93 41.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -60.62 -48.43 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.36 -71.04 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -148.91 154.57 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -82.83 118.25 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.26 55.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -73.49 144.36 46.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.0 mp -73.7 -39.24 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -164.77 171.88 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -121.17 40.7 3.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 13' ' ' PHE . 6.6 pt -67.13 -38.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 12' ' ' ILE . 16.5 m-85 -96.08 23.64 6.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.65 125.17 14.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.23 36.83 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.64 124.29 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -87.87 156.62 19.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.766 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.8 m-85 -142.9 152.62 42.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t -139.89 113.93 8.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -102.85 133.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.9 mmt -103.59 -37.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.8 t -173.19 151.4 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.98 -173.38 15.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 27' ' ' GLN . 70.5 p -96.03 179.02 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -52.42 -66.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.1 t -58.24 -43.87 87.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.551 ' NE2' HD11 ' A' ' 81' ' ' LEU . 19.2 mt-30 -113.48 93.96 29.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 31' ' ' ASP . 53.8 Cg_endo -69.72 -169.95 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 ttpp -73.9 -59.1 1.91 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.78 17.86 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -96.37 -49.02 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.8 -37.71 55.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -46.57 -47.46 19.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -63.63 -53.86 44.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ILE . 22.6 mtt180 -51.77 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' ARG . 97.1 mt -34.6 -57.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.4 -43.64 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 19.8 mm-40 -59.07 -23.58 62.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -92.98 18.34 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.53 42.54 32.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.02 161.73 18.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -104.98 143.5 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.373 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.766 HD13 ' HB2' ' A' ' 18' ' ' PHE . 39.8 mm -123.11 130.18 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 18' ' ' PHE . 22.6 m -123.83 -174.97 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -103.86 -47.27 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -117.35 137.18 23.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 126.42 13.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.29 -158.05 9.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -26.6 27.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -103.0 40.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -120.81 135.26 55.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -70.12 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -161.68 178.31 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 66' ' ' ILE . 83.5 t -109.96 147.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -118.05 107.62 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.89 118.27 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.74 -27.24 69.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -140.6 171.17 14.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.777 0.322 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -92.6 109.23 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -127.78 -179.98 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -49.39 -65.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -61.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.47 -42.48 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -52.77 -59.53 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -40.88 -47.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.65 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.8 mp -64.7 -36.93 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.53 -49.46 74.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -49.19 -57.16 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 m -46.79 -40.25 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 62.5 51.88 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -119.65 -41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -114.01 156.4 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -95.35 148.75 22.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -96.17 132.52 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 97' ' ' MET . 3.5 t -125.39 150.92 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -77.49 148.03 76.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 54.1 Cg_endo -69.76 0.59 5.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 10.3 t90 -51.99 -32.73 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 16.5 mt -63.05 -46.63 86.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.551 HD11 ' NE2' ' A' ' 27' ' ' GLN . 85.2 mt -47.5 -49.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG21 ' A' ' 90' ' ' VAL . 16.7 mt-10 -43.74 -34.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.4 m -84.42 -26.62 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 80' ' ' LEU . 13.8 m-30 -77.73 -22.28 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -98.6 -26.21 14.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.3 p -107.1 -8.26 16.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 46.87 38.18 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.6 m -141.06 155.72 46.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -67.86 98.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 91' ' ' PRO . 97.9 t -81.17 137.34 49.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.086 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.5 Cg_endo -69.73 173.54 10.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -91.06 136.54 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.568 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 5.3 mp0 -119.42 157.33 51.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.651 0.738 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -9.94 27.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -95.85 -21.03 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 22.7 m-85 -88.71 -44.62 10.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 75' ' ' VAL . 83.3 mmm -66.84 146.49 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 77.7 mt -116.36 -39.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -144.88 132.01 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -140.9 130.13 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -40.58 158.85 0.16 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -14.13 35.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.6 p -90.12 -28.12 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.6 m -85.03 -42.2 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -46.54 -39.5 11.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -45.2 -40.19 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -79.91 -29.31 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.42 74.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 9.8 ptt180 -76.79 -33.18 58.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 110' ' ' ARG . 40.1 mt-10 -57.5 -47.53 81.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -42.4 -47.89 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -115.56 165.58 12.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -101.38 -4.92 26.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.12 174.87 45.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 p -129.94 -38.4 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -81.42 132.21 35.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 -69.21 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -56.71 140.69 46.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -62.11 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -165.33 -178.42 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -127.1 27.08 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 pt -58.01 -31.21 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -99.08 17.85 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -55.06 125.49 20.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t70 69.73 35.79 2.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 18' ' ' PHE . 30.0 t -127.86 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -99.21 145.53 27.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 43' ' ' ILE . 96.1 m-85 -139.37 139.69 37.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.92 98.44 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -84.44 143.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mmt -115.81 -33.31 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 p -167.58 164.56 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.5 -164.79 11.07 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' GLN . 78.9 p -113.85 176.29 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.46 -65.47 0.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 m -50.98 -50.91 57.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' CB ' ' OD2' ' A' ' 31' ' ' ASP . 3.5 mp0 -111.87 110.21 54.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.5 Cg_endo -69.79 168.38 21.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 9.6 tttm -51.07 -59.26 7.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.55 0.69 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.75 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 42.4 t0 -76.43 -51.51 11.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 80' ' ' LEU . 1.7 mt -72.25 -44.27 63.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -43.45 -52.02 6.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -70.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 28.6 mtt180 -39.45 -58.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -45.37 -54.17 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.52 54.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -81.9 -22.29 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -92.31 13.95 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.65 41.23 10.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.67 161.06 19.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' HD13 ' A' ' 43' ' ' ILE . 4.6 t80 -101.68 152.42 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -138.39 125.92 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -121.47 -177.2 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.61 -50.47 4.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -114.42 135.87 22.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 138.93 38.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.5 -158.44 7.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.76 27.07 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -99.65 39.89 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.9 m -123.16 132.16 53.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.64 -51.53 34.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.0 p -170.0 171.16 7.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.33 134.57 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 HD11 ' A' ' 80' ' ' LEU . 34.8 mm -102.26 132.5 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -150.96 117.64 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -64.96 -32.3 83.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -152.33 158.4 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.42 105.56 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -120.15 160.96 21.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mm -39.08 -65.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 mmp_? -46.25 -61.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 56' ' ' ALA . 57.9 t -45.66 -43.45 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -51.06 -54.48 24.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -45.67 -43.82 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.657 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.5 mp -67.79 -40.3 83.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.4 mt -59.26 -45.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 70' ' ' ASN . 20.3 mt -53.62 -61.07 2.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.6 p -39.31 -29.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' LEU . 14.1 t-20 51.11 45.98 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -123.54 -26.58 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -117.3 161.97 18.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.65 152.05 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG12 HD12 ' A' ' 98' ' ' ILE . 62.7 t -105.64 134.02 48.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 55' ' ' ILE . 16.8 t -126.49 144.85 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -71.66 143.76 87.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.561 0.696 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -1.82 9.15 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.93 -42.6 23.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.452 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 7.8 t90 -53.22 -37.36 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD13 HD22 ' A' ' 32' ' ' LEU . 11.2 mt -60.68 -43.31 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 84' ' ' PHE . 79.2 mt -52.3 -50.57 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB3' HG21 ' A' ' 90' ' ' VAL . 34.1 mm-40 -43.05 -32.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 m -81.21 -31.36 33.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' LEU . 21.2 m-85 -76.55 -19.78 57.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -97.73 -34.11 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 82' ' ' GLU . 12.5 p -100.76 -7.08 24.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 48.4 42.71 18.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -145.57 168.49 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.53 97.38 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' ' 82' ' ' GLU . 58.6 t -77.86 136.73 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.648 0.737 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.8 150.88 68.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -68.4 136.2 52.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 81.3 mm-40 -120.09 153.91 55.55 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.94 22.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -99.34 -13.01 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.1 m-85 -93.8 -26.73 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 mtp -75.55 155.87 35.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.426 HD12 HG12 ' A' ' 74' ' ' VAL . 79.2 mt -122.09 -35.23 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.98 112.0 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.1 152.23 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.05 160.7 45.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -8.52 23.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.2 t -95.16 -20.26 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.1 m -99.26 -32.19 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.71 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 5.7 pt-20 -52.6 -35.05 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 25.5 t60 -63.19 -47.37 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.98 -40.58 96.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.9 -28.43 36.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -74.63 -49.33 21.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 112' ' ' TYR . 53.9 mm-40 -50.85 -54.48 23.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 111' ' ' GLU . 9.8 m-85 -34.93 -53.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.849 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 p -145.79 122.92 11.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.879 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -151.1 127.95 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.61 86.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -152.41 153.39 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -157.66 147.73 20.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.75 70.26 1.24 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -75.72 139.48 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -58.1 -44.41 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -159.36 154.35 24.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.78 42.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 pt -74.1 -32.58 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 23.5 m-85 -98.86 18.03 18.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 16' ' ' VAL . 2.4 tp10 -55.35 134.22 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 60.65 34.52 20.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 14' ' ' GLU . 17.9 t -130.51 133.86 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -92.8 157.04 16.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 43' ' ' ILE . 61.4 m-85 -148.54 129.97 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.917 ' SG ' HG22 ' A' ' 54' ' ' VAL . 14.6 p -130.06 98.63 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HB ' ' A' ' 55' ' ' ILE . 92.1 t -85.63 134.9 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.48 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 16.1 mmt -104.62 -35.1 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 p -156.03 164.04 38.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.16 -166.38 12.34 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.183 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -58.14 -55.48 34.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.3 t -58.48 -52.52 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -112.53 122.57 36.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.74 164.7 33.53 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 10.4 tttt -47.82 -59.53 5.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.702 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.78 17.0 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 18.1 t70 -80.28 -51.66 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 80' ' ' LEU . 1.7 mt -73.03 -38.34 66.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.64 -45.25 6.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -69.7 -49.96 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 mmp_? -55.81 -63.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 43' ' ' ILE . 93.2 mt -35.46 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.93 -42.93 38.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' ARG . 32.0 mm-40 -61.98 -23.9 66.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -94.98 23.23 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.19 46.67 56.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.93 158.26 20.13 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.22 138.87 35.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.91 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' A' ' 18' ' ' PHE . 48.9 mm -119.31 123.0 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG23 ' HB3' ' A' ' 19' ' ' CYS . 16.9 m -117.18 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -98.83 -48.62 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.74 138.18 29.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.07 27.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -141.69 -157.56 7.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.79 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.34 48.86 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.9 m -135.88 154.35 51.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -85.51 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -160.38 174.81 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.917 HG22 ' SG ' ' A' ' 19' ' ' CYS . 42.0 t -112.05 143.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG13 HD11 ' A' ' 80' ' ' LEU . 29.8 mm -111.69 109.62 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.73 118.59 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -72.42 -36.28 59.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -138.54 165.71 26.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 133.74 39.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.25 164.67 34.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 mm -39.62 -65.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.0 mmt180 -42.07 -63.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.4 t -42.81 -35.63 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -60.15 -60.54 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -39.31 -38.57 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 62' ' ' ARG . 5.0 mp -73.38 -36.45 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.8 mt -71.42 -46.34 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 mt -50.41 -56.47 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -44.56 -39.07 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 60.56 52.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -128.22 -36.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.96 174.54 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -116.71 150.14 38.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.23 136.1 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 t -128.83 146.06 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -71.48 146.25 91.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' HA2' ' A' ' 57' ' ' GLY . 53.6 Cg_endo -69.76 -7.74 21.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.56 -42.19 29.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 22.9 t90 -50.26 -38.71 42.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 32' ' ' LEU . 27.0 mt -57.41 -43.48 83.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 84' ' ' PHE . 84.5 mt -51.93 -53.6 39.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.834 ' HB3' HG21 ' A' ' 90' ' ' VAL . 26.9 mm-40 -41.02 -30.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.0 m -82.9 -34.89 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' LEU . 20.6 m-85 -73.69 -20.85 60.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -90.91 -49.31 6.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -88.6 -2.23 58.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' HD2' HG21 ' A' ' 9' ' ' ILE . 32.3 mmtp 46.03 42.26 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.1 m -148.47 147.96 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -60.35 96.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.834 HG21 ' HB3' ' A' ' 82' ' ' GLU . 91.2 t -71.87 137.36 82.48 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.739 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.69 152.98 69.81 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.74 2.294 . . . . 0.0 112.334 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -73.43 134.85 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.564 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 33.2 mt-30 -120.42 156.7 55.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -97.04 -21.48 17.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 23.8 m-85 -86.68 -46.44 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 72.8 mmm -62.36 149.85 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 72.5 mt -119.21 -36.39 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -142.69 108.55 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 17.3 mtm -108.65 133.8 52.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.87 158.74 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.647 0.737 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.3 p -93.88 -24.17 17.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 107' ' ' HIS . 27.8 m -89.87 -47.82 7.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 104' ' ' THR . 26.8 tttt -36.23 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -61.04 -50.89 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' THR . 16.1 t60 -51.6 -50.09 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -58.71 -41.17 85.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.8 97.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -54.49 -42.22 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.46 -49.23 64.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -42.86 -53.22 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 t -148.01 145.54 28.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 p -72.87 -45.19 59.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.24 142.47 3.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -165.45 134.23 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -111.76 147.08 36.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.07 51.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -91.43 137.97 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -65.76 -44.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -163.68 174.19 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.94 38.31 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 13' ' ' PHE . 37.9 pt -63.77 -38.33 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 12' ' ' ILE . 25.7 m-85 -96.04 26.71 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -56.65 125.67 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 61.99 41.35 11.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -129.14 124.18 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 153.55 26.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.905 ' HB2' HD13 ' A' ' 43' ' ' ILE . 81.9 m-85 -144.74 141.97 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 51' ' ' THR . 2.1 p -139.9 105.55 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG22 ' HB ' ' A' ' 55' ' ' ILE . 58.5 t -96.62 127.38 48.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.8 mmt -93.62 -39.3 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -162.16 165.47 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.72 -149.24 7.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.1 p -125.12 170.5 11.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -54.73 -47.32 73.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 m -64.53 -43.85 92.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -121.96 118.34 29.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.7 153.89 68.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.38 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 21.3 tttt -41.61 -56.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.6 Cg_endo -69.76 18.96 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 11.4 t0 -85.65 -56.36 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 77' ' ' PRO . 1.2 mt -69.36 -41.05 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -43.86 -48.03 8.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.18 -55.69 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 27.6 mtt-85 -51.96 -57.15 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -40.62 -61.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.35 -44.46 23.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.14 -29.81 67.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -92.26 23.79 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.48 48.73 49.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.32 149.21 16.9 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' PHE . 12.2 t80 -97.48 129.51 44.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.911 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.905 HD13 ' HB2' ' A' ' 18' ' ' PHE . 45.4 mm -110.71 120.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.29 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -106.9 -46.97 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -118.69 134.55 23.52 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 132.42 23.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.02 -159.06 8.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -22.12 32.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.643 2.228 . . . . 0.0 112.319 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -106.1 42.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.643 HG21 ' SG ' ' A' ' 19' ' ' CYS . 36.6 m -120.99 144.13 48.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.75 -57.74 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -166.96 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -99.75 121.02 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.569 HG13 HD11 ' A' ' 80' ' ' LEU . 48.9 mm -91.28 106.29 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.12 117.55 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -73.47 -34.79 56.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -142.02 146.92 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.94 105.0 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.81 172.08 8.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.42 -58.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 66' ' ' ILE . 16.1 mmp_? -50.83 -54.97 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 67' ' ' ILE . 62.5 t -49.95 -49.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 67' ' ' ILE . 15.8 mttp -46.57 -63.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' LYS . 23.3 m-80 -36.47 -53.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 62' ' ' ARG . 4.5 mp -62.37 -36.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 63' ' ' VAL . 63.8 mt -66.22 -51.33 60.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.0 mt -45.05 -59.45 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -43.86 -25.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 4.0 p-10 47.81 50.34 15.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -113.93 -42.94 3.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -110.32 -174.96 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.01 169.55 9.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -120.1 112.44 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG11 ' CE3' ' A' ' 79' ' ' TRP . 57.4 t -103.34 148.59 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -77.87 145.61 70.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.542 0.686 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.69 -13.47 34.89 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.94 -46.11 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.525 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 6.3 t90 -43.95 -42.37 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 55' ' ' ILE . 12.3 mt -57.28 -49.82 74.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -43.94 -49.73 8.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 90' ' ' VAL . 14.8 mt-10 -45.67 -34.2 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 87' ' ' LYS . 8.6 m -83.04 -32.75 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.583 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 22.3 m-85 -73.42 -23.37 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -90.97 -41.01 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.0 p -93.31 -14.42 26.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER 60.81 38.49 17.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -71.65 103.78 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' HD2' ' A' ' 91' ' ' PRO . 94.0 t -85.72 136.28 37.05 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HD2' HG13 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.75 163.78 36.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -73.66 144.71 45.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 58.6 mm-40 -126.71 154.89 75.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -10.67 29.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -96.56 -23.77 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 19.7 m-85 -83.26 -44.09 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.411 ' SD ' HG22 ' A' ' 75' ' ' VAL . 60.3 mmm -64.34 141.35 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 31.4 mt -112.58 -38.58 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -142.07 120.23 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.426 ' SD ' ' CD1' ' A' ' 108' ' ' PHE . 15.6 mtm -118.9 122.9 43.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.65 160.14 0.49 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.548 0.69 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.93 22.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 75.5 p -94.63 -30.19 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.5 m -91.2 -40.0 11.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -40.97 -47.06 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.62 -45.66 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 100' ' ' MET . 14.7 m-85 -78.84 -56.01 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -38.56 -43.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -61.22 -51.58 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.46 -48.49 37.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -46.69 -54.44 9.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -81.47 140.28 34.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -101.5 4.25 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.05 -66.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -106.78 86.23 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -124.23 124.33 42.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.37 73.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -52.75 142.13 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.3 mp -73.27 -38.44 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 t -167.83 164.84 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.83 38.9 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 pt -72.74 -34.95 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 23.7 m-85 -96.61 15.01 22.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 19.5 tt0 -58.18 132.62 54.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.98 28.33 10.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 14' ' ' GLU . 13.0 t -129.05 133.71 65.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -98.4 151.89 20.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 43' ' ' ILE . 27.4 m-85 -142.16 146.64 35.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -136.09 111.88 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG12 ' HG3' ' A' ' 29' ' ' LYS . 78.5 t -95.77 125.79 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -99.0 -34.07 10.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.9 p -164.78 154.05 13.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.29 -148.56 8.56 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.5 p -125.57 -177.62 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.94 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 t -49.09 -45.09 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.732 ' OE1' HD21 ' A' ' 81' ' ' LEU . 50.0 mt-30 -123.65 120.56 26.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 52.9 Cg_endo -69.83 167.46 24.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 6.0 ttpp -50.56 -59.11 7.94 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.78 13.52 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.31 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 16.3 t70 -75.3 -50.7 15.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 80' ' ' LEU . 1.3 mt -75.66 -34.54 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -47.84 -44.55 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -68.69 -44.63 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ILE . 29.1 mmt180 -62.57 -63.36 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HD11 HD13 ' A' ' 80' ' ' LEU . 86.0 mt -36.73 -58.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.51 -49.14 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.19 -25.96 64.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -90.11 15.2 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.99 45.51 11.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.74 154.72 18.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -97.83 139.88 33.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.934 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.448 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.1 mm -126.8 134.68 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.57 -175.82 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -101.71 -50.65 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -104.07 127.77 28.56 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' CE ' ' A' ' 21' ' ' MET . 53.7 Cg_endo -69.75 127.26 14.34 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 49' ' ' PRO . . . -127.23 -150.33 7.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 48' ' ' GLY . 54.1 Cg_endo -69.74 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.392 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 51' ' ' THR . 13.0 t70 -53.8 -50.93 65.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' ASP . 60.3 m -33.92 129.31 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -82.52 -42.17 18.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.9 p -164.81 157.44 16.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG13 ' SD ' ' A' ' 21' ' ' MET . 45.5 t -98.46 140.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG13 HD11 ' A' ' 80' ' ' LEU . 29.7 mm -113.49 107.35 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 63' ' ' VAL . . . -138.72 116.82 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.15 -32.48 60.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 m -128.78 138.31 52.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.65 92.48 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' ND2' HG23 ' A' ' 63' ' ' VAL . 2.4 p-10 -104.89 173.97 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.3 mm -43.31 -65.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -44.39 -61.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' ND2' ' A' ' 60' ' ' ASN . 94.4 t -46.86 -41.02 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -54.07 -60.31 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -39.08 -51.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.465 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.9 mp -58.53 -48.53 85.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 75.9 mt -49.85 -54.32 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.5 mt -44.66 -58.97 2.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 p -47.6 -27.63 1.94 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 51.85 52.15 15.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -129.11 -40.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -106.14 87.95 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.36 156.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.2 t -108.94 133.39 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.6 t -130.02 147.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -71.09 147.65 93.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.566 0.698 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.442 ' CB ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.81 -5.54 16.49 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.71 -49.99 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.517 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 20.5 t90 -44.13 -34.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -64.44 -41.41 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.732 HD21 ' OE1' ' A' ' 27' ' ' GLN . 95.1 mt -58.88 -38.82 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.637 ' HB3' HG21 ' A' ' 90' ' ' VAL . 3.9 mm-40 -52.59 -25.58 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' LYS . 3.8 m -87.5 -32.37 19.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 81' ' ' LEU . 22.9 m-85 -73.46 -21.32 60.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -94.53 -30.39 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLU . 8.4 p -104.28 -9.34 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . 1.6 mptp? 50.99 42.46 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.2 t -146.6 163.33 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -78.24 90.3 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.637 HG21 ' HB3' ' A' ' 82' ' ' GLU . 99.1 t -67.15 132.29 93.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.84 142.96 48.97 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -60.37 137.34 58.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 40.0 mt-30 -122.6 155.59 62.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.58 21.42 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -99.03 -21.27 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 20.6 m-85 -86.32 -46.11 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.402 ' CB ' ' CG ' ' A' ' 100' ' ' MET . 56.1 mmm -62.0 145.74 52.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 94.5 mt -107.65 -40.21 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 99' ' ' HIS . 26.9 t60 -134.71 77.91 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.402 ' CG ' ' CB ' ' A' ' 97' ' ' MET . 11.9 mtp -80.46 112.31 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 m -43.16 161.12 0.2 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -11.37 30.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 62.3 m -92.07 -14.29 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.8 m -93.98 -44.58 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -49.43 -34.84 17.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -57.01 -54.18 49.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -52.53 -47.21 66.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.82 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.64 94.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -59.91 -39.72 86.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -61.34 -59.28 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -39.89 -53.78 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -57.68 -49.59 76.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -82.92 164.33 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.81 -121.57 5.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -167.08 159.15 12.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -104.89 9.12 34.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.27 57.2 4.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 40' ' ' GLY . 6.1 mtpm? -84.85 142.76 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.792 0.33 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.67 -32.44 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.424 ' C ' ' OD1' ' A' ' 11' ' ' ASN . 19.9 m -167.95 176.16 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' OD1' ' C ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -128.15 24.05 5.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG13 ' CD1' ' A' ' 13' ' ' PHE . 24.9 pt -54.66 -32.15 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 12' ' ' ILE . 14.4 m-30 -97.26 23.18 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.92 125.99 22.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 t70 61.27 38.64 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.7 125.15 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 1.3 tp10 -88.52 153.53 21.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.767 ' HB2' HD13 ' A' ' 43' ' ' ILE . 70.3 m-85 -142.98 143.14 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 51' ' ' THR . 1.9 p -134.71 105.57 6.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -94.98 131.52 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.0 mmt -101.11 -39.01 7.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -160.2 158.58 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.12 -150.4 8.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.4 p -132.28 179.41 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -58.15 -58.2 9.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t -52.54 -51.05 61.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.798 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -117.32 121.41 32.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 54.1 Cg_endo -69.75 163.35 38.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 13.4 tttt -46.19 -59.06 5.34 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.75 17.82 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 14.7 t70 -84.8 -48.36 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB3' HD13 ' A' ' 80' ' ' LEU . 5.3 mt -74.31 -27.89 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.1 -46.76 79.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.542 ' CG ' ' N ' ' A' ' 35' ' ' ARG . 3.7 p30 -66.31 -55.76 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' N ' ' CG ' ' A' ' 34' ' ' ASN . 39.1 mtt-85 -52.26 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 35' ' ' ARG . 76.7 mt -35.19 -60.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.33 -42.62 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' ARG . 50.5 mt-10 -62.81 -32.85 74.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' ILE . 11.4 m-85 -82.73 16.1 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' CA ' ' HE2' ' A' ' 8' ' ' LYS . . . 74.97 51.12 7.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.04 158.01 22.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CD2' ' OE2' ' A' ' 17' ' ' GLU . 13.0 t80 -101.5 138.36 38.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 18' ' ' PHE . 49.4 mm -118.68 125.6 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.7 -176.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -101.82 -41.37 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -129.1 140.08 37.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.67 0.747 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.36 44.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.6 -157.98 7.4 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -23.84 30.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -109.14 46.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.418 HG21 ' SG ' ' A' ' 19' ' ' CYS . 47.4 m -124.61 154.03 41.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 51' ' ' THR . 21.9 t80 -87.14 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -165.72 162.61 18.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' ILE . 57.5 t -94.19 145.04 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.554 HD13 ' HB ' ' A' ' 75' ' ' VAL . 24.1 mm -120.18 103.58 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.85 130.0 44.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.448 ' HA2' ' CD ' ' A' ' 77' ' ' PRO . . . -81.97 -24.95 54.06 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -128.82 162.28 27.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 92.62 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -111.12 179.47 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ARG . 5.0 mm -52.05 -65.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' O ' HD12 ' A' ' 66' ' ' ILE . 19.0 mmt180 -38.05 -63.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.6 t -45.78 -47.49 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' ILE . 22.3 ttpt -47.87 -62.96 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.0 m-80 -37.94 -44.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.696 HG21 HG21 ' A' ' 54' ' ' VAL . 4.5 mp -67.66 -39.07 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' LYS . 86.2 mt -66.01 -41.92 90.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.86 -51.75 59.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -42.22 -37.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 63.79 42.7 5.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -125.27 -42.22 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -97.24 -174.95 3.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -131.35 142.48 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 HD12 ' A' ' 98' ' ' ILE . 46.9 t -93.55 115.88 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 55' ' ' ILE . 41.2 t -114.16 139.91 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HG2' ' CG1' ' A' ' 98' ' ' ILE . 4.7 mtpm? -68.99 148.3 97.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 2.94 3.09 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.22 -44.21 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.553 ' NE1' HG13 ' A' ' 90' ' ' VAL . 13.6 t90 -52.7 -40.11 62.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 32' ' ' LEU . 35.2 mt -54.56 -37.83 65.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 56.6 mt -59.42 -44.0 92.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' O ' HG23 ' A' ' 86' ' ' THR . 70.6 mm-40 -49.66 -32.7 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.493 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 3.6 m -79.86 -22.5 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HA ' ' A' ' 81' ' ' LEU . 8.8 m-85 -85.91 -24.1 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -91.57 -42.02 10.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 82' ' ' GLU . 11.0 p -89.79 -21.17 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt 61.8 36.54 16.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.9 t -136.31 -175.92 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -98.29 76.76 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.553 HG13 ' NE1' ' A' ' 79' ' ' TRP . 0.7 OUTLIER -63.15 131.47 94.76 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.627 0.727 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 161.52 45.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -67.5 141.77 56.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 27.7 mt-30 -122.29 158.06 56.81 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -8.22 23.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 96' ' ' PHE . 13.3 ptm180 -99.2 -19.92 16.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 18.0 m-85 -94.86 -33.27 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.422 ' HE2' ' CG ' ' A' ' 100' ' ' MET . 44.9 mmm -72.63 105.58 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 74' ' ' VAL . 81.9 mt -68.57 -41.51 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -153.21 136.45 15.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.422 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 0.5 OUTLIER -135.38 143.5 46.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.31 161.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -8.65 24.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.8 m -92.22 -26.28 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 m -97.46 -27.14 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.22 -53.38 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.18 -49.67 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -51.53 -43.07 62.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 111' ' ' GLU . 12.0 m-85 -68.09 -41.95 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -42.72 -29.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 14.9 mtp-105 -75.07 -38.82 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 108' ' ' PHE . 21.4 mm-40 -63.8 -47.87 79.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' GLU . 23.6 m-85 -36.81 -42.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -78.47 146.25 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -98.41 154.07 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.27 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -68.45 83.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -89.24 43.94 1.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.47 111.53 4.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -49.71 138.86 13.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.2 mp -58.88 -43.07 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -164.91 119.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 58.69 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 pt -87.75 -29.03 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 16' ' ' VAL . 31.5 m-85 -98.06 11.93 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -43.88 120.96 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 70.95 34.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 13' ' ' PHE . 21.8 t -129.39 125.08 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 15.7 tt0 -91.83 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 16' ' ' VAL . 76.2 m-85 -150.18 143.5 25.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.41 106.17 8.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG21 ' HB2' ' A' ' 32' ' ' LEU . 83.9 t -92.72 136.42 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.742 ' SD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -104.34 -41.37 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.1 t -168.16 152.29 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.57 -174.1 20.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 27' ' ' GLN . 33.7 p -104.74 -175.67 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.327 . . . . 0.0 111.157 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 5.2 t0 -53.12 -69.75 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 m -50.48 -53.1 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' THR . 26.8 mp0 -108.3 114.44 59.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.689 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' HB2' ' A' ' 31' ' ' ASP . 53.9 Cg_endo -69.74 179.24 3.82 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 8.9 tttm -59.06 -59.84 12.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 12.43 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HB2' ' CD ' ' A' ' 28' ' ' PRO . 17.9 t70 -73.96 -46.93 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 55' ' ' ILE . 2.9 mt -76.22 -45.48 32.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -41.81 -50.34 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -65.12 -69.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' ASN . 11.5 mmp_? -36.28 -59.46 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.0 mt -45.57 -55.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.68 -25.87 8.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -85.19 -23.57 28.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CZ ' ' HA ' ' A' ' 84' ' ' PHE . 11.3 m-85 -91.9 5.88 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.6 54.03 2.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.28 148.57 19.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -89.37 139.48 30.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 18' ' ' PHE . 50.8 mm -121.6 128.34 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 m -123.6 177.56 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -43.74 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' ND2' ' HD2' ' A' ' 47' ' ' PRO . 0.6 OUTLIER -123.17 138.19 29.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.903 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HD2' ' ND2' ' A' ' 46' ' ' ASN . 54.0 Cg_endo -69.77 139.41 40.12 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.736 2.291 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.82 -158.04 7.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -24.55 29.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.96 44.39 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.6 m -126.98 141.28 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -71.49 -57.34 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -173.45 168.26 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG13 ' SD ' ' A' ' 21' ' ' MET . 20.7 t -96.63 142.21 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 32' ' ' LEU . 11.4 mm -113.94 114.14 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' C ' ' HD3' ' A' ' 77' ' ' PRO . . . -142.08 125.39 16.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.77 -18.28 60.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 143.84 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.03 131.59 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -144.47 -179.61 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.9 mm -60.14 -57.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -52.8 -57.97 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HA ' HD13 ' A' ' 66' ' ' ILE . 57.5 t -46.55 -41.45 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -53.45 -59.48 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.429 ' HA ' HD12 ' A' ' 68' ' ' LEU . 9.6 m-80 -40.91 -46.21 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.693 HD12 ' H ' ' A' ' 66' ' ' ILE . 4.2 mp -64.09 -39.28 84.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 71.8 mt -66.1 -49.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 65' ' ' ASN . 25.8 mt -47.99 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -38.54 -36.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 t30 63.81 42.91 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.92 -43.72 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -116.04 158.89 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.4 OUTLIER -97.28 151.25 20.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.19 124.18 48.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' ' 55' ' ' ILE . 3.3 t -117.7 148.6 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.697 ' HG2' HD11 ' A' ' 98' ' ' ILE . 37.6 mttm -75.52 146.06 80.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.71 -1.81 9.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.7 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.513 ' HB2' ' CG ' ' A' ' 96' ' ' PHE . 5.7 t90 -45.68 -33.45 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' CD1' HD22 ' A' ' 32' ' ' LEU . 17.5 mt -66.34 -40.39 89.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.5 mt -52.46 -48.68 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' THR . 21.2 mm-40 -47.94 -26.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.5 m -86.01 -37.23 19.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 39' ' ' PHE . 11.0 m-30 -71.46 -17.18 62.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 tppt? -97.26 -47.72 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 82' ' ' GLU . 9.9 p -87.6 -9.94 52.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.37 44.02 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 m -147.15 159.48 43.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -75.65 103.07 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HD2' ' A' ' 91' ' ' PRO . 16.5 t -86.16 135.11 37.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.648 0.737 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.73 152.41 69.44 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.399 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -65.15 135.94 56.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 96' ' ' PHE . 85.2 mm-40 -118.83 154.73 53.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -8.97 24.96 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -98.9 -19.9 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 21.0 m-85 -89.08 -38.82 14.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 73.7 mmm -73.03 135.8 44.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.697 HD11 ' HG2' ' A' ' 76' ' ' LYS . 86.3 mt -99.93 -42.41 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -138.95 120.55 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.582 ' HE3' ' CD2' ' A' ' 108' ' ' PHE . 20.0 mtm -122.28 126.05 47.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.2 p -51.42 156.81 1.92 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.23 18.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -95.24 -17.21 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.1 m -98.81 -38.69 8.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -48.58 -29.13 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.48 -47.83 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -60.11 -41.04 91.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD2' ' HE3' ' A' ' 100' ' ' MET . 6.8 m-85 -64.82 -52.42 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -41.7 -29.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -74.71 -48.37 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -49.02 -45.19 42.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -47.62 -45.31 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.867 . . . . . . . . 0 0 . 1 stop_ save_